Product OPENEYE NAME: (3E)-3-(3,3-dimethyl-2-oxo-butylidene)isobenzofuran-1-one
CAS Name: (3E)-3-(3,3-dimethyl-2-oxobutylidene)-1-isobenzofuranone
IUPAC NAME: (3E)-3-(3,3-dimethyl-2-oxobutylidene)-2-benzofuran-1-one
SYSTEMATIC NAME: (3E)-3-(3,3-dimethyl-2-oxidanylidene-butylidene)-2-benzofuran-1-one
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: CC(C)(C)C(=O)/C=C/1\C2=CC=CC=C2C(=O)O1
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Product OPENEYE NAME: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]pyridine-3-carboxylic acid
CAS Name: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]-3-pyridinecarboxylic acid
IUPAC NAME: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C13H15NO4
MOLECULAR WEIGHT: 249.2625
SMILES: CC(C)(C)C(=O)/C=C(/C1=C(C=CC=N1)C(=O)O)\O
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Product OPENEYE NAME: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxo-pent-1-enyl]benzoic acid
CAS Name: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]benzoic acid
IUPAC NAME: 2-[(Z)-1-hydroxy-4,4-dimethyl-3-oxopent-1-enyl]benzoic acid
SYSTEMATIC NAME: 2-[(Z)-4,4-dimethyl-1-oxidanyl-3-oxidanylidene-pent-1-enyl]benzoic acid
MOLECULAR FORMULA: C14H16O4
MOLECULAR WEIGHT: 248.27444
SMILES: CC(C)(C)C(=O)/C=C(/C1=CC=CC=C1C(=O)O)\O
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Product OPENEYE NAME: 4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carboxylic acid
CAS Name: 4-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyridinecarboxylic acid
IUPAC NAME: 4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CC(C)(C)C1=CC(=NN1)C2=C(C=NC=C2)C(=O)O
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Product OPENEYE NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)benzoic acid
CAS Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)benzoic acid
IUPAC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)benzoic acid
SYSTEMATIC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)benzoic acid
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CC(C)(C)C1=CC(=NN1)C2=CC=CC=C2C(=O)O
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Product OPENEYE NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzoic acid
CAS Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzoic acid
IUPAC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C15H15F3N2O2
MOLECULAR WEIGHT: 312.28701
SMILES: CC(C)(C)C1=CC(=NN1)C2=C(C=CC=C2C(F)(F)F)C(=O)O
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Product OPENEYE NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)benzoyl chloride
CAS Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)benzoyl chloride
IUPAC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)benzoyl chloride
SYSTEMATIC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)benzoyl chloride
MOLECULAR FORMULA: C14H15ClN2O
MOLECULAR WEIGHT: 262.7347
SMILES: CC(C)(C)C1=CC(=NN1)C2=CC=CC=C2C(=O)Cl
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Product OPENEYE NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carbonyl chloride
CAS Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyridinecarbonyl chloride
IUPAC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carbonyl chloride
SYSTEMATIC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carbonyl chloride
MOLECULAR FORMULA: C13H14ClN3O
MOLECULAR WEIGHT: 263.72276
SMILES: CC(C)(C)C1=CC(=NN1)C2=C(C=CC=N2)C(=O)Cl
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Product OPENEYE NAME: 4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carbonyl chloride
CAS Name: 4-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyridinecarbonyl chloride
IUPAC NAME: 4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carbonyl chloride
SYSTEMATIC NAME: 4-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-3-carbonyl chloride
MOLECULAR FORMULA: C13H14ClN3O
MOLECULAR WEIGHT: 263.72276
SMILES: CC(C)(C)C1=CC(=NN1)C2=C(C=NC=C2)C(=O)Cl
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Product OPENEYE NAME: 3-(5-tert-butyl-1H-pyrazol-3-yl)pyrazine-2-carbonyl chloride
CAS Name: 3-(5-tert-butyl-1H-pyrazol-3-yl)-2-pyrazinecarbonyl chloride
IUPAC NAME: 3-(5-tert-butyl-1H-pyrazol-3-yl)pyrazine-2-carbonyl chloride
SYSTEMATIC NAME: 3-(5-tert-butyl-1H-pyrazol-3-yl)pyrazine-2-carbonyl chloride
MOLECULAR FORMULA: C12H13ClN4O
MOLECULAR WEIGHT: 264.71082
SMILES: CC(C)(C)C1=CC(=NN1)C2=NC=CN=C2C(=O)Cl
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Product OPENEYE NAME: dimethyl 3-(trifluoromethyl)benzene-1,2-dicarboxylate
CAS Name: 3-(trifluoromethyl)benzene-1,2-dicarboxylic acid dimethyl ester
IUPAC NAME: dimethyl 3-(trifluoromethyl)benzene-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl 3-(trifluoromethyl)benzene-1,2-dicarboxylate
MOLECULAR FORMULA: C11H9F3O4
MOLECULAR WEIGHT: 262.18197
SMILES: COC(=O)C1=C(C(=CC=C1)C(F)(F)F)C(=O)OC
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Product OPENEYE NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzoyl chloride
CAS Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzoyl chloride
IUPAC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzoyl chloride
SYSTEMATIC NAME: 2-(5-tert-butyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzoyl chloride
MOLECULAR FORMULA: C15H14ClF3N2O
MOLECULAR WEIGHT: 330.73267
SMILES: CC(C)(C)C1=CC(=NN1)C2=C(C=CC=C2C(F)(F)F)C(=O)Cl
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Product OPENEYE NAME: methyl (3R)-4-hydroxy-5-methoxy-tetrahydrofuran-3-carboxylate
CAS Name: (3R)-4-hydroxy-5-methoxy-3-oxolanecarboxylic acid methyl ester
IUPAC NAME: methyl (3R)-4-hydroxy-5-methoxyoxolane-3-carboxylate
SYSTEMATIC NAME: methyl (3R)-5-methoxy-4-oxidanyl-oxolane-3-carboxylate
MOLECULAR FORMULA: C7H12O5
MOLECULAR WEIGHT: 176.16718
SMILES: COC1C([C@@H](CO1)C(=O)OC)O
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Product OPENEYE NAME: methyl (3R)-4-hydroxy-5-methoxy-3-methyl-tetrahydrofuran-3-carboxylate
CAS Name: (3R)-4-hydroxy-5-methoxy-3-methyl-3-oxolanecarboxylic acid methyl ester
IUPAC NAME: methyl (3R)-4-hydroxy-5-methoxy-3-methyloxolane-3-carboxylate
SYSTEMATIC NAME: methyl (3R)-5-methoxy-3-methyl-4-oxidanyl-oxolane-3-carboxylate
MOLECULAR FORMULA: C8H14O5
MOLECULAR WEIGHT: 190.19376
SMILES: C[C@]1(COC(C1O)OC)C(=O)OC
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Product OPENEYE NAME: methyl (3R)-3-ethyl-4-hydroxy-5-methoxy-tetrahydrofuran-3-carboxylate
CAS Name: (3R)-3-ethyl-4-hydroxy-5-methoxy-3-oxolanecarboxylic acid methyl ester
IUPAC NAME: methyl (3R)-3-ethyl-4-hydroxy-5-methoxyoxolane-3-carboxylate
SYSTEMATIC NAME: methyl (3R)-3-ethyl-5-methoxy-4-oxidanyl-oxolane-3-carboxylate
MOLECULAR FORMULA: C9H16O5
MOLECULAR WEIGHT: 204.22034
SMILES: CC[C@]1(COC(C1O)OC)C(=O)OC
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Product OPENEYE NAME: (5Z,9Z,15Z,19Z)-5,10,15,20-tetrapropyl-21,22,23,24-tetrahydroporphyrin
CAS Name: (5Z,9Z,15Z,19Z)-5,10,15,20-tetrapropyl-21,22,23,24-tetrahydroporphyrin
IUPAC NAME: (5Z,9Z,15Z,19Z)-5,10,15,20-tetrapropyl-21,22,23,24-tetrahydroporphyrin
SYSTEMATIC NAME: (5Z,9Z,15Z,19Z)-5,10,15,20-tetrapropyl-21,22,23,24-tetrahydroporphyrin
MOLECULAR FORMULA: C32H40N4
MOLECULAR WEIGHT: 480.6868
SMILES: CCC/C/1=C\2/N/C(=C(\C3=CC=C(N3)/C(=C/4\N/C(=C(\C5=CC=C1N5)/CCC)/C=C4)/CCC)/CCC)/C=C2
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Product OPENEYE NAME: (5Z,9Z,15Z,19Z)-5,10,15,20-tetraisobutyl-21,22,23,24-tetrahydroporphyrin
CAS Name: (5Z,9Z,15Z,19Z)-5,10,15,20-tetrakis(2-methylpropyl)-21,22,23,24-tetrahydroporphyrin
IUPAC NAME: (5Z,9Z,15Z,19Z)-5,10,15,20-tetrakis(2-methylpropyl)-21,22,23,24-tetrahydroporphyrin
SYSTEMATIC NAME: (5Z,9Z,15Z,19Z)-5,10,15,20-tetrakis(2-methylpropyl)-21,22,23,24-tetrahydroporphyrin
MOLECULAR FORMULA: C36H48N4
MOLECULAR WEIGHT: 536.79312
SMILES: CC(C/C/1=C\2/N/C(=C(\C3=CC=C(N3)/C(=C/4\N/C(=C(\C5=CC=C1N5)/CC(C)C)/C=C4)/CC(C)C)/CC(C)C)/C=C2)C
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Product OPENEYE NAME: 5,10,15,20-tetrabenzyl-21,22-dihydroporphyrin
CAS Name: 5,10,15,20-tetrakis(phenylmethyl)-21,22-dihydroporphyrin
IUPAC NAME: 5,10,15,20-tetrabenzyl-21,22-dihydroporphyrin
SYSTEMATIC NAME: 5,10,15,20-tetrakis(phenylmethyl)-21,22-dihydroporphyrin
MOLECULAR FORMULA: C48H38N4
MOLECULAR WEIGHT: 670.84212
SMILES: C1=CC=C(C=C1)CC2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)CC7=CC=CC=C7)CC8=CC=CC=C8)CC9=CC=CC=C9)N3
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Product OPENEYE NAME: 6-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-benzothiazole
CAS Name: 6-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-benzothiazole
IUPAC NAME: 6-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-benzothiazole
SYSTEMATIC NAME: 6-methyl-2-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-1,3-benzothiazole
MOLECULAR FORMULA: C16H17N3S
MOLECULAR WEIGHT: 283.39128
SMILES: CC1=CC2=C(C=C1)N=C(S2)N3C4=C(CCCC4)C(=N3)C
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Product OPENEYE NAME: (4-aminophenyl)sulfonyliminomethanedithiolate
CAS Name: (4-aminophenyl)sulfonyliminomethanedithiolate
IUPAC NAME: (4-aminophenyl)sulfonyliminomethanedithiolate
SYSTEMATIC NAME: (4-aminophenyl)sulfonyliminomethanedithiolate
MOLECULAR FORMULA: C7H6N2O2S3-2
MOLECULAR WEIGHT: 246.32974
SMILES: C1=CC(=CC=C1N)S(=O)(=O)N=C([S-])[S-]
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Product OPENEYE NAME: (4-aminophenyl)sulfonylcarbamodithioic acid
CAS Name: (4-aminophenyl)sulfonylcarbamodithioic acid
IUPAC NAME: (4-aminophenyl)sulfonylcarbamodithioic acid
SYSTEMATIC NAME: (4-aminophenyl)sulfonylcarbamodithioic acid
MOLECULAR FORMULA: C7H8N2O2S3
MOLECULAR WEIGHT: 248.34562
SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC(=S)S
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Product OPENEYE NAME: N-[4-(disulfidomethyleneamino)sulfonylphenyl]carbamodithioate
CAS Name: N-[4-(disulfidomethylideneamino)sulfonylphenyl]carbamodithioate
IUPAC NAME: N-[4-(disulfidomethylideneamino)sulfonylphenyl]carbamodithioate
SYSTEMATIC NAME: N-[4-[bis(sulfanidyl)methylideneamino]sulfonylphenyl]carbamodithioate
MOLECULAR FORMULA: C8H5N2O2S5-3
MOLECULAR WEIGHT: 321.4625
SMILES: C1=CC(=CC=C1NC(=S)[S-])S(=O)(=O)N=C([S-])[S-]
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Product OPENEYE NAME: [4-(dithiocarboxyamino)phenyl]sulfonylcarbamodithioic acid
CAS Name: [4-(dithiocarboxyamino)phenyl]sulfonylcarbamodithioic acid
IUPAC NAME: [4-(dithiocarboxyamino)phenyl]sulfonylcarbamodithioic acid
SYSTEMATIC NAME: [4-(dithiocarboxyamino)phenyl]sulfonylcarbamodithioic acid
MOLECULAR FORMULA: C8H8N2O2S5
MOLECULAR WEIGHT: 324.48632
SMILES: C1=CC(=CC=C1NC(=S)S)S(=O)(=O)NC(=S)S
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