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Phenanthrenes and derivatives

Phenanthrenes and derivatives

Polycyclic aromatic hydrocarbon compounds that consist of fourteen carbon atoms and ten hydrogen atoms fused into three benzene rings. Includes compounds that are derived from phenanthrenes.
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1 – 15 of 24 results
1

Fullerene powder, 99.5% C{60}, Thermo Scientific Chemicals

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00151408
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
2

Rosin, gum, Thermo Scientific Chemicals

CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

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CAS 8050-09-7
Molecular Weight (g/mol) 302.46
MDL Number MFCD00132205
Synonym 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
InChI Key RSWGJHLUYNHPMX-UHFFFAOYNA-N
Molecular Formula C20H30O2
3

Fullerene powder, sublimed, 99.9+% C{60}, Thermo Scientific Chemicals

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00151408
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
4

Benzo[ghi]perylene, 98+%, Thermo Scientific Chemicals

CAS: 191-24-2 Molecular Formula: C22H12 Molecular Weight (g/mol): 276.33 MDL Number: MFCD00004135 InChI Key: GYFAGKUZYNFMBN-UHFFFAOYSA-N Synonym: benzo ghi perylene,1,12-benzoperylene,1,12-benzperylene,benzo g,h,i perylene,benzo ghi pyrilene,benzo-1,12-perylene,unii-5zme2e2q9l,ccris 784 PubChem CID: 9117 ChEBI: CHEBI:34568 SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2

PubChem CID 9117
CAS 191-24-2
Molecular Weight (g/mol) 276.33
ChEBI CHEBI:34568
MDL Number MFCD00004135
SMILES C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
Synonym benzo ghi perylene,1,12-benzoperylene,1,12-benzperylene,benzo g,h,i perylene,benzo ghi pyrilene,benzo-1,12-perylene,unii-5zme2e2q9l,ccris 784
InChI Key GYFAGKUZYNFMBN-UHFFFAOYSA-N
Molecular Formula C22H12
5

Triphenylene, 98%, Thermo Scientific Chemicals

CAS: 217-59-4 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.29 MDL Number: MFCD00001108 InChI Key: SLGBZMMZGDRARJ-UHFFFAOYSA-N Synonym: 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl PubChem CID: 9170 ChEBI: CHEBI:33080 IUPAC Name: triphenylene SMILES: C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21

PubChem CID 9170
CAS 217-59-4
Molecular Weight (g/mol) 228.29
ChEBI CHEBI:33080
MDL Number MFCD00001108
SMILES C1=CC=C2C(=C1)C1=CC=CC=C1C1=CC=CC=C21
Synonym 9,10-benzophenanthrene,isochrysene,9,10-benzphenanthrene,benzo l phenanthrene,1,2,3,4-dibenznaphthalene,benzophenanthrene,1,2:3,4-dibenznaphthalene,ccris 1301,triphenylen-1-yl
IUPAC Name triphenylene
InChI Key SLGBZMMZGDRARJ-UHFFFAOYSA-N
Molecular Formula C18H12
6

Fullerene powder, mixed refined, typically 70% C{60}, 28% C{70}, higher 2%, Thermo Scientific Chemicals

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00282904
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
7

Perfluoro(tetradecahydrophenanthrene), mixture of isomers, Thermo Scientific Chemicals

CAS: 306-91-2 Molecular Formula: C14F24 Molecular Weight (g/mol): 624.116 MDL Number: MFCD00042596 InChI Key: QKENRHXGDUPTEM-UHFFFAOYSA-N Synonym: perfluorophenanthrene,perfluoroperhydrophenanthrene,flutec pp11,perfluoro perhydrophenanthrene,tetracosafluorotetradecahydrophenanthrene,phenanthrene, tetracosafluorotetradecahydro,phenanthrene, 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorotetradecahydro,flutec tm pp11 r,acmc-1clkp,dsstox_cid_27029 PubChem CID: 78972 ChEBI: CHEBI:39423 IUPAC Name: 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorophenanthrene SMILES: C12(C3(C(C(C(C1(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(C(C(C(C3(F)F)(F)F)(F)F)(F)F)F)F)F

PubChem CID 78972
CAS 306-91-2
Molecular Weight (g/mol) 624.116
ChEBI CHEBI:39423
MDL Number MFCD00042596
SMILES C12(C3(C(C(C(C1(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)(F)F)(F)F)(C(C(C(C3(F)F)(F)F)(F)F)(F)F)F)F)F
Synonym perfluorophenanthrene,perfluoroperhydrophenanthrene,flutec pp11,perfluoro perhydrophenanthrene,tetracosafluorotetradecahydrophenanthrene,phenanthrene, tetracosafluorotetradecahydro,phenanthrene, 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorotetradecahydro,flutec tm pp11 r,acmc-1clkp,dsstox_cid_27029
IUPAC Name 1,1,2,2,3,3,4,4,4a,4b,5,5,6,6,7,7,8,8,8a,9,9,10,10,10a-tetracosafluorophenanthrene
InChI Key QKENRHXGDUPTEM-UHFFFAOYSA-N
Molecular Formula C14F24
8

Rosin, Thermo Scientific Chemicals

CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

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CAS 8050-09-7
Molecular Weight (g/mol) 302.46
MDL Number MFCD00132205
Synonym 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
InChI Key RSWGJHLUYNHPMX-UHFFFAOYNA-N
Molecular Formula C20H30O2
9

Fullerene C60, 99.9%, Thermo Scientific Chemicals

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00151408
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
10

Fullerene powder, 99.9+% C{60}, Thermo Scientific Chemicals

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00282904
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
11

Coronene, 95%, Thermo Scientific Chemicals

CAS: 191-07-1 Molecular Formula: C24H12 Molecular Weight (g/mol): 300.36 MDL Number: MFCD00004134 InChI Key: VPUGDVKSAQVFFS-UHFFFAOYSA-N Synonym: hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul PubChem CID: 9115 ChEBI: CHEBI:29863 IUPAC Name: coronene SMILES: C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61

PubChem CID 9115
CAS 191-07-1
Molecular Weight (g/mol) 300.36
ChEBI CHEBI:29863
MDL Number MFCD00004134
SMILES C1=CC2=CC=C3C=CC4=CC=C5C=CC6=CC=C1C1=C2C3=C4C5=C61
Synonym hexabenzobenzene,dibenzo ghi,pqr perylene,superbenzene,unii-7yy0x5xt1w,ccris 908,7yy0x5xt1w,6 circulene,coronene,acmc-209eul
IUPAC Name coronene
InChI Key VPUGDVKSAQVFFS-UHFFFAOYSA-N
Molecular Formula C24H12
12

2,3,6,7,10,11-Hexahydroxytriphenylene, 95%, Thermo Scientific Chemicals

CAS: 4877-80-9 Molecular Formula: C18H12O6 Molecular Weight (g/mol): 324.29 InChI Key: QMLILIIMKSKLES-UHFFFAOYSA-N Synonym: 2,3,6,7,10,11-hexahydroxytriphenylene,triphenylene-2,3,6,7,10,11-hexaol,2,3,6,7,10,11-triphenylenehexol,acmc-1ak9f,2,3,6,7,10,11-hexa-hydroxytriphenylene PubChem CID: 11088610 IUPAC Name: triphenylene-2,3,6,7,10,11-hexol SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O

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PubChem CID 11088610
CAS 4877-80-9
Molecular Weight (g/mol) 324.29
SMILES C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O
Synonym 2,3,6,7,10,11-hexahydroxytriphenylene,triphenylene-2,3,6,7,10,11-hexaol,2,3,6,7,10,11-triphenylenehexol,acmc-1ak9f,2,3,6,7,10,11-hexa-hydroxytriphenylene
IUPAC Name triphenylene-2,3,6,7,10,11-hexol
InChI Key QMLILIIMKSKLES-UHFFFAOYSA-N
Molecular Formula C18H12O6
13

Benzo[a]pyrene, 96%, Thermo Scientific Chemicals

CAS: 50-32-8 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.32 MDL Number: MFCD00003602 InChI Key: FMMWHPNWAFZXNH-UHFFFAOYSA-N Synonym: benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene PubChem CID: 2336 ChEBI: CHEBI:29865 IUPAC Name: benzo[a]pyrene SMILES: C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34

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PubChem CID 2336
CAS 50-32-8
Molecular Weight (g/mol) 252.32
ChEBI CHEBI:29865
MDL Number MFCD00003602
SMILES C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34
Synonym benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene
IUPAC Name benzo[a]pyrene
InChI Key FMMWHPNWAFZXNH-UHFFFAOYSA-N
Molecular Formula C20H12
14

Fullerene powder, 99% C{6}{0}, Thermo Scientific Chemicals

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00282904 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

PubChem CID 123591
CAS 99685-96-8
Molecular Weight (g/mol) 720.66
ChEBI CHEBI:33128
MDL Number MFCD00282904
SMILES C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name (C\{60}-I\{h})[5,6]fullerene
InChI Key XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula C60
15

Aristolochic acid, 96%, mixture of I and II, Thermo Scientific Chemicals

CAS: 313-67-7 Molecular Formula: C17H11NO7 Molecular Weight (g/mol): 341.27 MDL Number: MFCD00004996 InChI Key: BBFQZRXNYIEMAW-UHFFFAOYSA-N Synonym: aristolochic acid,aristolochic acid a,aristolochic acid i,aristolochin,tardolyt,birthwort,aristolochic acid-i,aristolochine,aristolochiazaeure,unii-94218wfp5t PubChem CID: 2236 ChEBI: CHEBI:2825 SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O

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PubChem CID 2236
CAS 313-67-7
Molecular Weight (g/mol) 341.27
ChEBI CHEBI:2825
MDL Number MFCD00004996
SMILES COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
Synonym aristolochic acid,aristolochic acid a,aristolochic acid i,aristolochin,tardolyt,birthwort,aristolochic acid-i,aristolochine,aristolochiazaeure,unii-94218wfp5t
InChI Key BBFQZRXNYIEMAW-UHFFFAOYSA-N
Molecular Formula C17H11NO7