Product OPENEYE NAME: benzyl 2-hydroxybenzoate
CAS Name: 2-hydroxybenzoic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-hydroxybenzoate
SYSTEMATIC NAME: (phenylmethyl) 2-oxidanylbenzoate
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O
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Product OPENEYE NAME: 2-ethylhexyl 2-hydroxybenzoate
CAS Name: 2-hydroxybenzoic acid 2-ethylhexyl ester
IUPAC NAME: 2-ethylhexyl 2-hydroxybenzoate
SYSTEMATIC NAME: 2-ethylhexyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CCCCC(CC)COC(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: ethyl 2-hydroxybenzoate
CAS Name: 2-hydroxybenzoic acid ethyl ester
IUPAC NAME: ethyl 2-hydroxybenzoate
SYSTEMATIC NAME: ethyl 2-oxidanylbenzoate
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CCOC(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: acetic acid; 1-(1H-indol-3-yl)butan-2-amine
CAS Name: acetic acid; 1-(1H-indol-3-yl)-2-butanamine
IUPAC NAME: acetic acid; 1-(1H-indol-3-yl)butan-2-amine
SYSTEMATIC NAME: ethanoic acid; 1-(1H-indol-3-yl)butan-2-amine
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CCC(CC1=CNC2=CC=CC=C21)N.CC(=O)O
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Product OPENEYE NAME: 1-(1H-indol-3-yl)butan-2-amine
CAS Name: 1-(1H-indol-3-yl)-2-butanamine
IUPAC NAME: 1-(1H-indol-3-yl)butan-2-amine
SYSTEMATIC NAME: 1-(1H-indol-3-yl)butan-2-amine
MOLECULAR FORMULA: C12H16N2
MOLECULAR WEIGHT: 188.26884
SMILES: CCC(CC1=CNC2=CC=CC=C21)N
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Product OPENEYE NAME: 1,3-dichloro-2-methyl-benzene
CAS Name: 1,3-dichloro-2-methylbenzene
IUPAC NAME: 1,3-dichloro-2-methylbenzene
SYSTEMATIC NAME: 1,3-bis(chloranyl)-2-methyl-benzene
MOLECULAR FORMULA: C7H6Cl2
MOLECULAR WEIGHT: 161.02854
SMILES: CC1=C(C=CC=C1Cl)Cl
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Product OPENEYE NAME: 3-hydroxy-2-methyl-pyran-4-one
CAS Name: 3-hydroxy-2-methyl-4-pyranone
IUPAC NAME: 3-hydroxy-2-methylpyran-4-one
SYSTEMATIC NAME: 2-methyl-3-oxidanyl-pyran-4-one
MOLECULAR FORMULA: C6H6O3
MOLECULAR WEIGHT: 126.11004
SMILES: CC1=C(C(=O)C=CO1)O
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Product OPENEYE NAME: 1,2,3,4,5,6-hexachlorobenzene
CAS Name: 1,2,3,4,5,6-hexachlorobenzene
IUPAC NAME: 1,2,3,4,5,6-hexachlorobenzene
SYSTEMATIC NAME: 1,2,3,4,5,6-hexakis(chloranyl)benzene
MOLECULAR FORMULA: C6Cl6
MOLECULAR WEIGHT: 284.7822
SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 2,3,5,6-tetrachloro-1,4-benzoquinone
CAS Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
IUPAC NAME: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,3,5,6-tetrakis(chloranyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C6Cl4O2
MOLECULAR WEIGHT: 245.875
SMILES: C1(=C(C(=O)C(=C(C1=O)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]phenol
CAS Name: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
IUPAC NAME: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
SYSTEMATIC NAME: 2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]phenol
MOLECULAR FORMULA: C29H44O2
MOLECULAR WEIGHT: 424.65846
SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
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Product OPENEYE NAME: 2-methylbenzoic acid
CAS Name: 2-methylbenzoic acid
IUPAC NAME: 2-methylbenzoic acid
SYSTEMATIC NAME: 2-methylbenzoic acid
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC1=CC=CC=C1C(=O)O
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Product OPENEYE NAME: 2-chlorobenzoic acid
CAS Name: 2-chlorobenzoic acid
IUPAC NAME: 2-chlorobenzoic acid
SYSTEMATIC NAME: 2-chloranylbenzoic acid
MOLECULAR FORMULA: C7H5ClO2
MOLECULAR WEIGHT: 156.5664
SMILES: C1=CC=C(C(=C1)C(=O)O)Cl
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Product OPENEYE NAME: 1-(2-hydroxyphenyl)ethanone
CAS Name: 1-(2-hydroxyphenyl)ethanone
IUPAC NAME: 1-(2-hydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-(2-hydroxyphenyl)ethanone
MOLECULAR FORMULA: C8H8O2
MOLECULAR WEIGHT: 136.14792
SMILES: CC(=O)C1=CC=CC=C1O
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Product OPENEYE NAME: 2-methyl-1,3,5-trinitro-benzene
CAS Name: 2-methyl-1,3,5-trinitrobenzene
IUPAC NAME: 2-methyl-1,3,5-trinitrobenzene
SYSTEMATIC NAME: 2-methyl-1,3,5-trinitro-benzene
MOLECULAR FORMULA: C7H5N3O6
MOLECULAR WEIGHT: 227.1311
SMILES: CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-3,5-dinitro-benzoic acid
CAS Name: 4-chloro-3,5-dinitrobenzoic acid
IUPAC NAME: 4-chloro-3,5-dinitrobenzoic acid
SYSTEMATIC NAME: 4-chloranyl-3,5-dinitro-benzoic acid
MOLECULAR FORMULA: C7H3ClN2O6
MOLECULAR WEIGHT: 246.56152
SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-tetrahydropyran-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-cyclohexoxy]tetrahyd
CAS Name: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[[(2S,3R,4S,5R)-4-[[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxy-2-oxanyl]oxy]-3-hydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-3-hydroxycyclohexyl]oxyoxane-3,4-diol
IUPAC NAME: (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
SYSTEMATIC NAME: (2R,3S,4R,5R,6R)-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)-3-oxidanyl-oxolan-2-yl]oxy-4,6-bis(azanyl)-3-oxidanyl-cyclohexyl]oxy-5-azanyl-oxane-3,4-dio
MOLECULAR FORMULA: C23H46N6O13
MOLECULAR WEIGHT: 614.64374
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N
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Product OPENEYE NAME: ditridecyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid ditridecyl ester
IUPAC NAME: ditridecyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: ditridecyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C34H58O4
MOLECULAR WEIGHT: 530.82192
SMILES: CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCCCC
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Product OPENEYE NAME: O2-decyl O1-octyl benzene-1,2-dicarboxylate
CAS Name: benzene-1,2-dicarboxylic acid O2-decyl ester O1-octyl ester
IUPAC NAME: 2-O-decyl 1-O-octyl benzene-1,2-dicarboxylate
SYSTEMATIC NAME: O2-decyl O1-octyl benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C26H42O4
MOLECULAR WEIGHT: 418.60928
SMILES: CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
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Product OPENEYE NAME: 6-diethoxyphosphinothioyloxy-2-phenyl-pyridazin-3-one
CAS Name: 6-diethoxyphosphinothioyloxy-2-phenyl-3-pyridazinone
IUPAC NAME: 6-diethoxyphosphinothioyloxy-2-phenylpyridazin-3-one
SYSTEMATIC NAME: 6-diethoxyphosphinothioyloxy-2-phenyl-pyridazin-3-one
MOLECULAR FORMULA: C14H17N2O4PS
MOLECULAR WEIGHT: 340.334541
SMILES: CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 1-chloro-2,4-dimethoxy-5-nitro-benzene
CAS Name: 1-chloro-2,4-dimethoxy-5-nitrobenzene
IUPAC NAME: 1-chloro-2,4-dimethoxy-5-nitrobenzene
SYSTEMATIC NAME: 1-chloranyl-2,4-dimethoxy-5-nitro-benzene
MOLECULAR FORMULA: C8H8ClNO4
MOLECULAR WEIGHT: 217.60642
SMILES: COC1=CC(=C(C=C1[N+](=O)[O-])Cl)OC
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Product OPENEYE NAME: 1-methoxy-2,4-dinitro-benzene
CAS Name: 1-methoxy-2,4-dinitrobenzene
IUPAC NAME: 1-methoxy-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-methoxy-2,4-dinitro-benzene
MOLECULAR FORMULA: C7H6N2O5
MOLECULAR WEIGHT: 198.13294
SMILES: COC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 8-aminonaphthalene-2-sulfonic acid
CAS Name: 8-amino-2-naphthalenesulfonic acid
IUPAC NAME: 8-aminonaphthalene-2-sulfonic acid
SYSTEMATIC NAME: 8-azanylnaphthalene-2-sulfonic acid
MOLECULAR FORMULA: C10H9NO3S
MOLECULAR WEIGHT: 223.24836
SMILES: C1=CC2=C(C=C(C=C2)S(=O)(=O)O)C(=C1)N
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