Product OPENEYE NAME: (2-methyl-4-phosphonooxy-1-naphthyl) dihydrogen phosphate
CAS Name: (2-methyl-4-phosphonooxy-1-naphthalenyl) dihydrogen phosphate
IUPAC NAME: (2-methyl-4-phosphonooxynaphthalen-1-yl) dihydrogen phosphate
SYSTEMATIC NAME: (2-methyl-4-phosphonooxy-naphthalen-1-yl) dihydrogen phosphate
MOLECULAR FORMULA: C11H12O8P2
MOLECULAR WEIGHT: 334.155702
SMILES: CC1=C(C2=CC=CC=C2C(=C1)OP(=O)(O)O)OP(=O)(O)O
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Product OPENEYE NAME: 2,6-diaminoanthracene-9,10-dione
CAS Name: 2,6-diaminoanthracene-9,10-dione
IUPAC NAME: 2,6-diaminoanthracene-9,10-dione
SYSTEMATIC NAME: 2,6-bis(azanyl)anthracene-9,10-dione
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC2=C(C=C1N)C(=O)C3=C(C2=O)C=C(C=C3)N
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Product OPENEYE NAME: bis(1-methylheptyl) benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid dioctan-2-yl ester
IUPAC NAME: dioctan-2-yl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: dioctan-2-yl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C24H38O4
MOLECULAR WEIGHT: 390.55612
SMILES: CCCCCCC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)CCCCCC
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Product OPENEYE NAME: dipropyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid dipropyl ester
IUPAC NAME: dipropyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: dipropyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CCCOC(=O)C1=CC=CC=C1C(=O)OCCC
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Product OPENEYE NAME: diallyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid bis(prop-2-enyl) ester
IUPAC NAME: bis(prop-2-enyl) benzene-1,2-dicarboxylate
SYSTEMATIC NAME: bis(prop-2-enyl) benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C14H14O4
MOLECULAR WEIGHT: 246.25856
SMILES: C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
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Product OPENEYE NAME: dipentyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid dipentyl ester
IUPAC NAME: dipentyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: dipentyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C18H26O4
MOLECULAR WEIGHT: 306.39664
SMILES: CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC
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Product OPENEYE NAME: 4-phenylazonaphthalen-1-amine
CAS Name: 4-phenyldiazenyl-1-naphthalenamine
IUPAC NAME: 4-phenyldiazenylnaphthalen-1-amine
SYSTEMATIC NAME: 4-phenyldiazenylnaphthalen-1-amine
MOLECULAR FORMULA: C16H13N3
MOLECULAR WEIGHT: 247.29452
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C3=CC=CC=C32)N
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Product OPENEYE NAME: 3-aminonaphthalene-1,5-disulfonic acid
CAS Name: 3-aminonaphthalene-1,5-disulfonic acid
IUPAC NAME: 3-aminonaphthalene-1,5-disulfonic acid
SYSTEMATIC NAME: 3-azanylnaphthalene-1,5-disulfonic acid
MOLECULAR FORMULA: C10H9NO6S2
MOLECULAR WEIGHT: 303.31156
SMILES: C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)N)S(=O)(=O)O
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Product OPENEYE NAME: 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-benzoic acid
CAS Name: 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]-1-oxoethyl]-2,3-dimethoxybenzoic acid
IUPAC NAME: 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoic acid
SYSTEMATIC NAME: 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]ethanoyl]-2,3-dimethoxy-benzoic acid
MOLECULAR FORMULA: C23H27NO8
MOLECULAR WEIGHT: 445.46238
SMILES: CN(C)CCC1=CC2=C(C(=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)O)OC)OCO2
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Product OPENEYE NAME: (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)tetrahydropyran-2-carboxylic acid
CAS Name: (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)-2-oxanecarboxylic acid
IUPAC NAME: (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S,5R,6R)-5-acetamido-2,4-bis(oxidanyl)-6-[1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
MOLECULAR FORMULA: C11H19NO9
MOLECULAR WEIGHT: 309.26986
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1C(C(CO)O)O)(C(=O)O)O)O
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Product OPENEYE NAME: 3,5-diacetamido-2,4,6-triiodo-benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CAS Name: 3,5-diacetamido-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC NAME: 3,5-diacetamido-2,4,6-triiodobenzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 3,5-diacetamido-2,4,6-tris(iodanyl)benzoic acid; (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C18H26I3N3O9
MOLECULAR WEIGHT: 809.12715
SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
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Product OPENEYE NAME: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CAS Name: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
IUPAC NAME: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: (2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C7H17NO5
MOLECULAR WEIGHT: 195.21358
SMILES: CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
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Product OPENEYE NAME: (2-hydroxy-4-methoxy-phenyl)-(2-hydroxyphenyl)methanone
CAS Name: (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
IUPAC NAME: (2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
SYSTEMATIC NAME: (2-hydroxyphenyl)-(4-methoxy-2-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2O)O
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Product OPENEYE NAME: bis(2-hydroxy-4-methoxy-phenyl)methanone
CAS Name: bis(2-hydroxy-4-methoxyphenyl)methanone
IUPAC NAME: bis(2-hydroxy-4-methoxyphenyl)methanone
SYSTEMATIC NAME: bis(4-methoxy-2-oxidanyl-phenyl)methanone
MOLECULAR FORMULA: C15H14O5
MOLECULAR WEIGHT: 274.26866
SMILES: COC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O)O
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Product OPENEYE NAME: bis(2,4-dihydroxyphenyl)methanone
CAS Name: bis(2,4-dihydroxyphenyl)methanone
IUPAC NAME: bis(2,4-dihydroxyphenyl)methanone
SYSTEMATIC NAME: bis[2,4-bis(oxidanyl)phenyl]methanone
MOLECULAR FORMULA: C13H10O5
MOLECULAR WEIGHT: 246.2155
SMILES: C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O
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Product OPENEYE NAME: (2,4-dihydroxyphenyl)-phenyl-methanone
CAS Name: (2,4-dihydroxyphenyl)-phenylmethanone
IUPAC NAME: (2,4-dihydroxyphenyl)-phenylmethanone
SYSTEMATIC NAME: [2,4-bis(oxidanyl)phenyl]-phenyl-methanone
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O
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Product OPENEYE NAME: 2-(1-ethyl-1-methyl-prop-2-ynoxy)carbonylbenzoic acid
CAS Name: 2-[3-methylpent-1-yn-3-yloxy(oxo)methyl]benzoic acid
IUPAC NAME: 2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid
SYSTEMATIC NAME: 2-(3-methylpent-1-yn-3-yloxycarbonyl)benzoic acid
MOLECULAR FORMULA: C14H14O4
MOLECULAR WEIGHT: 246.25856
SMILES: CCC(C)(C#C)OC(=O)C1=CC=CC=C1C(=O)O
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Product OPENEYE NAME: 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
CAS Name: 2-[[4-(acetylsulfamoyl)anilino]-oxomethyl]benzoic acid
IUPAC NAME: 2-[[4-(acetylsulfamoyl)phenyl]carbamoyl]benzoic acid
SYSTEMATIC NAME: 2-[[4-(ethanoylsulfamoyl)phenyl]carbamoyl]benzoic acid
MOLECULAR FORMULA: C16H14N2O6S
MOLECULAR WEIGHT: 362.35716
SMILES: CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O
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Product OPENEYE NAME: 2-butoxycarbonylbenzoic acid
CAS Name: 2-[butoxy(oxo)methyl]benzoic acid
IUPAC NAME: 2-butoxycarbonylbenzoic acid
SYSTEMATIC NAME: 2-butoxycarbonylbenzoic acid
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: CCCCOC(=O)C1=CC=CC=C1C(=O)O
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Product OPENEYE NAME: 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
CAS Name: 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
IUPAC NAME: 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
SYSTEMATIC NAME: 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)aniline
MOLECULAR FORMULA: C12H5N7O12
MOLECULAR WEIGHT: 439.2078
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: ammonium 2,4,6-trinitrophenolate
CAS Name: ammonium 2,4,6-trinitrophenolate
IUPAC NAME: azanium 2,4,6-trinitrophenolate
SYSTEMATIC NAME: azanium 2,4,6-trinitrophenolate
MOLECULAR FORMULA: C6H6N4O7
MOLECULAR WEIGHT: 246.13444
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].[NH4+]
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Product OPENEYE NAME: 1-(o-tolylazo)naphthalen-2-amine
CAS Name: 1-(2-methylphenyl)azo-2-naphthalenamine
IUPAC NAME: 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine
SYSTEMATIC NAME: 1-[(2-methylphenyl)diazenyl]naphthalen-2-amine
MOLECULAR FORMULA: C17H15N3
MOLECULAR WEIGHT: 261.3211
SMILES: CC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)N
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