Benzenoids
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Isoamyl 4-Hydroxybenzoate 98.0+%, TCI America™
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CAS: 6521-30-8 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.257 MDL Number: MFCD00017502 InChI Key: KSHVDKDQYBNSAN-UHFFFAOYSA-N Synonym: 4-Hydroxybenzoic Acid Isoamyl Ester, Isoamylparaben, Isopentyl 4-Hydroxybenzoate PubChem CID: 81009 IUPAC Name: 3-methylbutyl 4-hydroxybenzoate SMILES: CC(C)CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 81009 |
|---|---|
| CAS | 6521-30-8 |
| Molecular Weight (g/mol) | 208.257 |
| MDL Number | MFCD00017502 |
| SMILES | CC(C)CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | 4-Hydroxybenzoic Acid Isoamyl Ester, Isoamylparaben, Isopentyl 4-Hydroxybenzoate |
| IUPAC Name | 3-methylbutyl 4-hydroxybenzoate |
| InChI Key | KSHVDKDQYBNSAN-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
5-Nitrosalicylic Acid 98.0+%, TCI America™
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CAS: 96-97-9 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.119 MDL Number: MFCD00007338 InChI Key: PPDRLQLKHRZIJC-UHFFFAOYSA-N Synonym: 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid PubChem CID: 7318 ChEBI: CHEBI:61281 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
| PubChem CID | 7318 |
|---|---|
| CAS | 96-97-9 |
| Molecular Weight (g/mol) | 183.119 |
| ChEBI | CHEBI:61281 |
| MDL Number | MFCD00007338 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O |
| Synonym | 5-nitrosalicylic acid,2-hydroxy-5-nitrobenzoic acid,anilotic acid,benzoic acid, 2-hydroxy-5-nitro,5-nitro-2-hydroxybenzoic acid,unii-82l9g7fyz3,2-hydroxy-5-nitro-benzoic acid,5-nitro-salicylic acid,salicylic acid, 5-nitro,5-nitro salicylic acid |
| InChI Key | PPDRLQLKHRZIJC-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO5 |
2,7-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9,9-didecylfluorene 98.0+%, TCI America™
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CAS: 711026-06-1 Molecular Formula: C45H72B2O4 Molecular Weight (g/mol): 698.687 MDL Number: MFCD20275090 InChI Key: AGCVTNPCAYFDNL-UHFFFAOYSA-N Synonym: 9,9-Didecylfluorene-2,7-diboronic Acid Bis(pinacol) Ester PubChem CID: 51341875 IUPAC Name: 2-[9,9-didecyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(CCCCCCCCCC)CCCCCCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C
| PubChem CID | 51341875 |
|---|---|
| CAS | 711026-06-1 |
| Molecular Weight (g/mol) | 698.687 |
| MDL Number | MFCD20275090 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(C3(CCCCCCCCCC)CCCCCCCCCC)C=C(C=C4)B5OC(C(O5)(C)C)(C)C |
| Synonym | 9,9-Didecylfluorene-2,7-diboronic Acid Bis(pinacol) Ester |
| IUPAC Name | 2-[9,9-didecyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | AGCVTNPCAYFDNL-UHFFFAOYSA-N |
| Molecular Formula | C45H72B2O4 |
11H-Benzo[b]fluoren-11-one 98.0+%, TCI America™
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CAS: 3074-03-1 Molecular Formula: C17H10O Molecular Weight (g/mol): 230.27 MDL Number: MFCD00215960 InChI Key: MLMNDNOSVOKYMT-UHFFFAOYSA-N PubChem CID: 18311 IUPAC Name: benzo[b]fluoren-11-one SMILES: C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4C3=O
| PubChem CID | 18311 |
|---|---|
| CAS | 3074-03-1 |
| Molecular Weight (g/mol) | 230.27 |
| MDL Number | MFCD00215960 |
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC=C4C3=O |
| IUPAC Name | benzo[b]fluoren-11-one |
| InChI Key | MLMNDNOSVOKYMT-UHFFFAOYSA-N |
| Molecular Formula | C17H10O |
2-Amino-6-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 4389-50-8 Molecular Formula: C8H8NO2 Molecular Weight (g/mol): 150.16 MDL Number: MFCD00007809 InChI Key: XHYVBIXKORFHFM-UHFFFAOYSA-M Synonym: 6-methylanthranilic acid,6-amino-o-toluic acid,benzoic acid, 2-amino-6-methyl,2-amino-6-methyl-benzoic acid,6-methylanthranilate,pubchem4957,acmc-209jvt,6-methyl anthranilic acid,3-amino-2-carboxytoluene,2-carboxy-3-methylaniline PubChem CID: 151210 IUPAC Name: 2-amino-6-methylbenzoate SMILES: CC1=CC=CC(N)=C1C([O-])=O
| PubChem CID | 151210 |
|---|---|
| CAS | 4389-50-8 |
| Molecular Weight (g/mol) | 150.16 |
| MDL Number | MFCD00007809 |
| SMILES | CC1=CC=CC(N)=C1C([O-])=O |
| Synonym | 6-methylanthranilic acid,6-amino-o-toluic acid,benzoic acid, 2-amino-6-methyl,2-amino-6-methyl-benzoic acid,6-methylanthranilate,pubchem4957,acmc-209jvt,6-methyl anthranilic acid,3-amino-2-carboxytoluene,2-carboxy-3-methylaniline |
| IUPAC Name | 2-amino-6-methylbenzoate |
| InChI Key | XHYVBIXKORFHFM-UHFFFAOYSA-M |
| Molecular Formula | C8H8NO2 |
4,4'-Butylidenebis(6-tert-butyl-m-cresol) 97.0+%, TCI America™
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CAS: 85-60-9 Molecular Formula: C26H38O2 Molecular Weight (g/mol): 382.59 MDL Number: MFCD00026289 InChI Key: PFANXOISJYKQRP-UHFFFAOYSA-N Synonym: santowhite,santowhite powder,sumilit bbm,sumilizer bbm,anullex pba 15,4,4'-butylidenebis 6-tert-butyl-m-cresol,yoshinox bb,sumilizer bbm-s,swp antioxidant,noclizer ns 30 PubChem CID: 6815 IUPAC Name: 2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol SMILES: CCCC(C1=CC(=C(O)C=C1C)C(C)(C)C)C1=CC(=C(O)C=C1C)C(C)(C)C
| PubChem CID | 6815 |
|---|---|
| CAS | 85-60-9 |
| Molecular Weight (g/mol) | 382.59 |
| MDL Number | MFCD00026289 |
| SMILES | CCCC(C1=CC(=C(O)C=C1C)C(C)(C)C)C1=CC(=C(O)C=C1C)C(C)(C)C |
| Synonym | santowhite,santowhite powder,sumilit bbm,sumilizer bbm,anullex pba 15,4,4'-butylidenebis 6-tert-butyl-m-cresol,yoshinox bb,sumilizer bbm-s,swp antioxidant,noclizer ns 30 |
| IUPAC Name | 2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol |
| InChI Key | PFANXOISJYKQRP-UHFFFAOYSA-N |
| Molecular Formula | C26H38O2 |
2-Chloro-3,5-dinitrobenzotrifluoride 99.0+%, TCI America™
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CAS: 392-95-0 Molecular Formula: C7H2ClF3N2O4 Molecular Weight (g/mol): 270.55 MDL Number: MFCD00007076 InChI Key: RLXKADBMLQPLDV-UHFFFAOYSA-N Synonym: 2-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,5-dinitro-3-trifluoromethyl benzene,benzene, 2-chloro-1,5-dinitro-3-trifluoromethyl,2-chloro-3,5-binitrotrifluorotoluene,pubchem4846,2-chlor-1,5-dinitro-3-trifluormethyl benzol,ksc914e2d,labotest-bb lt00159813,labotest-bb lt03380099,2-chloro-3,5-dinitro-benzotrifluoride PubChem CID: 67851 IUPAC Name: 2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene SMILES: [O-][N+](=O)C1=CC(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O
| PubChem CID | 67851 |
|---|---|
| CAS | 392-95-0 |
| Molecular Weight (g/mol) | 270.55 |
| MDL Number | MFCD00007076 |
| SMILES | [O-][N+](=O)C1=CC(=C(Cl)C(=C1)C(F)(F)F)[N+]([O-])=O |
| Synonym | 2-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,5-dinitro-3-trifluoromethyl benzene,benzene, 2-chloro-1,5-dinitro-3-trifluoromethyl,2-chloro-3,5-binitrotrifluorotoluene,pubchem4846,2-chlor-1,5-dinitro-3-trifluormethyl benzol,ksc914e2d,labotest-bb lt00159813,labotest-bb lt03380099,2-chloro-3,5-dinitro-benzotrifluoride |
| IUPAC Name | 2-chloro-1,5-dinitro-3-(trifluoromethyl)benzene |
| InChI Key | RLXKADBMLQPLDV-UHFFFAOYSA-N |
| Molecular Formula | C7H2ClF3N2O4 |
5-Bromo-2-chlorobenzoic Acid 98.0+%, TCI America™
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CAS: 21739-92-4 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00002415 InChI Key: FGERXQWKKIVFQG-UHFFFAOYSA-N Synonym: 2-chloro-5-bromobenzoic acid,benzoic acid, 5-bromo-2-chloro,5-bromo-2-chlorobenzoicacid,5-bromo-2-chloro benzoic acid,5-bromo-2-chloro-benzoic acid,bromo 5--2-chlorobenzoic acid,pubchem3587,acmc-209fnm,5-bromo-2-chorobenzoic acid,ksc204k3r PubChem CID: 33127 IUPAC Name: 5-bromo-2-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Br)C(=O)O)Cl
| PubChem CID | 33127 |
|---|---|
| CAS | 21739-92-4 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00002415 |
| SMILES | C1=CC(=C(C=C1Br)C(=O)O)Cl |
| Synonym | 2-chloro-5-bromobenzoic acid,benzoic acid, 5-bromo-2-chloro,5-bromo-2-chlorobenzoicacid,5-bromo-2-chloro benzoic acid,5-bromo-2-chloro-benzoic acid,bromo 5--2-chlorobenzoic acid,pubchem3587,acmc-209fnm,5-bromo-2-chorobenzoic acid,ksc204k3r |
| IUPAC Name | 5-bromo-2-chlorobenzoic acid |
| InChI Key | FGERXQWKKIVFQG-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
Tris(4-trifluoromethylphenyl)bismuth Dichloride 98.0+%, TCI America™
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CAS: 121882-75-5 Molecular Formula: C21H12BiCl2F9 Molecular Weight (g/mol): 715.193 MDL Number: MFCD06797186 InChI Key: VOZWPVZQISDWJM-UHFFFAOYSA-L Synonym: Dichlorotris(4-trifluoromethylphenyl)bismuth PubChem CID: 44409351 IUPAC Name: dichloro-tris[4-(trifluoromethyl)phenyl]bismuth SMILES: C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl
| PubChem CID | 44409351 |
|---|---|
| CAS | 121882-75-5 |
| Molecular Weight (g/mol) | 715.193 |
| MDL Number | MFCD06797186 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)[Bi](C2=CC=C(C=C2)C(F)(F)F)(C3=CC=C(C=C3)C(F)(F)F)(Cl)Cl |
| Synonym | Dichlorotris(4-trifluoromethylphenyl)bismuth |
| IUPAC Name | dichloro-tris[4-(trifluoromethyl)phenyl]bismuth |
| InChI Key | VOZWPVZQISDWJM-UHFFFAOYSA-L |
| Molecular Formula | C21H12BiCl2F9 |
4-tert-Butylstyrene (stabilized with TBC) 90.0+%, TCI America™
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CAS: 1746-23-2 Molecular Formula: C12H16 Molecular Weight (g/mol): 160.26 MDL Number: MFCD00065126 InChI Key: QEDJMOONZLUIMC-UHFFFAOYSA-N Synonym: 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene PubChem CID: 15627 IUPAC Name: 1-tert-butyl-4-ethenylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C=C
| PubChem CID | 15627 |
|---|---|
| CAS | 1746-23-2 |
| Molecular Weight (g/mol) | 160.26 |
| MDL Number | MFCD00065126 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C=C |
| Synonym | 4-tert-butylstyrene,p-tert-butylstyrene,p-t-butylstyrene,benzene, 1-1,1-dimethylethyl-4-ethenyl,styrene, p-tert-butyl,unii-9pct9cbw0v,1-1,1-dimethylethyl-4-ethenylbenzene,9pct9cbw0v,1-tert-butyl-4-vinylbenzene,4-t-butyl styrene |
| IUPAC Name | 1-tert-butyl-4-ethenylbenzene |
| InChI Key | QEDJMOONZLUIMC-UHFFFAOYSA-N |
| Molecular Formula | C12H16 |
Hexyltriphenylphosphonium Bromide 98.0+%, TCI America™
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CAS: 4762-26-9 Molecular Formula: C24H28BrP Molecular Weight (g/mol): 427.37 MDL Number: MFCD00011860 InChI Key: PWDFZWZPWFYFTC-UHFFFAOYSA-M Synonym: hexyltriphenylphosphonium bromide,n-hexyl-triphenylphosphonium bromide,phosphonium, hexyltriphenyl-, bromide,hexyltriphenylphosphoniumbromide,hexyltriphenylphosphanium bromide,n-hexyl triphenylphosphonium bromide,c24h28p.br,acmc-209k9x,n-hexyltriphenylphosphonium bromide,hexyl triphenyl phosphanium bromide PubChem CID: 2724569 IUPAC Name: hexyltriphenylphosphanium bromide SMILES: [Br-].CCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724569 |
|---|---|
| CAS | 4762-26-9 |
| Molecular Weight (g/mol) | 427.37 |
| MDL Number | MFCD00011860 |
| SMILES | [Br-].CCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | hexyltriphenylphosphonium bromide,n-hexyl-triphenylphosphonium bromide,phosphonium, hexyltriphenyl-, bromide,hexyltriphenylphosphoniumbromide,hexyltriphenylphosphanium bromide,n-hexyl triphenylphosphonium bromide,c24h28p.br,acmc-209k9x,n-hexyltriphenylphosphonium bromide,hexyl triphenyl phosphanium bromide |
| IUPAC Name | hexyltriphenylphosphanium bromide |
| InChI Key | PWDFZWZPWFYFTC-UHFFFAOYSA-M |
| Molecular Formula | C24H28BrP |
1-(4-Methoxyphenoxy)-2-propanol 98.0+%, TCI America™
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CAS: 42900-54-9 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00191541 InChI Key: VRJJZESAMSRBTH-UHFFFAOYNA-N Synonym: 4-(2-Hydroxypropoxy)anisole PubChem CID: 10749941 IUPAC Name: 1-(4-methoxyphenoxy)propan-2-ol SMILES: COC1=CC=C(OCC(C)O)C=C1
| PubChem CID | 10749941 |
|---|---|
| CAS | 42900-54-9 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00191541 |
| SMILES | COC1=CC=C(OCC(C)O)C=C1 |
| Synonym | 4-(2-Hydroxypropoxy)anisole |
| IUPAC Name | 1-(4-methoxyphenoxy)propan-2-ol |
| InChI Key | VRJJZESAMSRBTH-UHFFFAOYNA-N |
| Molecular Formula | C10H14O3 |
3,3-Diphenyl-1-propanol 98.0+%, TCI America™
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CAS: 20017-67-8 Molecular Formula: C15H16O Molecular Weight (g/mol): 212.29 MDL Number: MFCD00002930 InChI Key: IDCXQMVSIIJUEH-UHFFFAOYSA-N PubChem CID: 29908 IUPAC Name: 3,3-diphenylpropan-1-ol SMILES: OCCC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 29908 |
|---|---|
| CAS | 20017-67-8 |
| Molecular Weight (g/mol) | 212.29 |
| MDL Number | MFCD00002930 |
| SMILES | OCCC(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 3,3-diphenylpropan-1-ol |
| InChI Key | IDCXQMVSIIJUEH-UHFFFAOYSA-N |
| Molecular Formula | C15H16O |
2-Cyanophenol 98.0+%, TCI America™
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CAS: 611-20-1 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00002145 InChI Key: CHZCERSEMVWNHL-UHFFFAOYSA-N Synonym: 2-cyanophenol,o-cyanophenol,salicylonitrile,o-hydroxybenzonitrile,benzonitrile, 2-hydroxy,salicylnitrile,benzonitrile, hydroxy,benzonitrile, o-hydroxy,o-hydoxybenzonitrile,2-hydroxy-benzonitrile PubChem CID: 11907 IUPAC Name: 2-hydroxybenzonitrile SMILES: C1=CC=C(C(=C1)C#N)O
| PubChem CID | 11907 |
|---|---|
| CAS | 611-20-1 |
| Molecular Weight (g/mol) | 119.123 |
| MDL Number | MFCD00002145 |
| SMILES | C1=CC=C(C(=C1)C#N)O |
| Synonym | 2-cyanophenol,o-cyanophenol,salicylonitrile,o-hydroxybenzonitrile,benzonitrile, 2-hydroxy,salicylnitrile,benzonitrile, hydroxy,benzonitrile, o-hydroxy,o-hydoxybenzonitrile,2-hydroxy-benzonitrile |
| IUPAC Name | 2-hydroxybenzonitrile |
| InChI Key | CHZCERSEMVWNHL-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO |
6-Acetoxy-2-naphthoic Acid 98.0+%, TCI America™
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CAS: 17295-26-0 Molecular Formula: C13H10O4 Molecular Weight (g/mol): 230.219 MDL Number: MFCD00059556 InChI Key: NFTLBCXRDNIJMI-UHFFFAOYSA-N Synonym: 6-acetoxy-2-naphthoic acid,6-acetyloxy-2-naphthoic acid,2-naphthalenecarboxylic acid, 6-acetyloxy,6-acetyloxy naphthalene-2-carboxylic acid,6-hydroxy-2-naphthoic acid acetate,6-acetoxy-2-naphthoicacid,acmc-209e5j,6-acetoxy-2-naphtoic acid,2-acetoxy-6-naphthoic acid PubChem CID: 87038 IUPAC Name: 6-acetyloxynaphthalene-2-carboxylic acid SMILES: CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=O)O
| PubChem CID | 87038 |
|---|---|
| CAS | 17295-26-0 |
| Molecular Weight (g/mol) | 230.219 |
| MDL Number | MFCD00059556 |
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=O)O |
| Synonym | 6-acetoxy-2-naphthoic acid,6-acetyloxy-2-naphthoic acid,2-naphthalenecarboxylic acid, 6-acetyloxy,6-acetyloxy naphthalene-2-carboxylic acid,6-hydroxy-2-naphthoic acid acetate,6-acetoxy-2-naphthoicacid,acmc-209e5j,6-acetoxy-2-naphtoic acid,2-acetoxy-6-naphthoic acid |
| IUPAC Name | 6-acetyloxynaphthalene-2-carboxylic acid |
| InChI Key | NFTLBCXRDNIJMI-UHFFFAOYSA-N |
| Molecular Formula | C13H10O4 |