Product OPENEYE NAME: 2-hydroxy-2-methyl-propanoic acid
CAS Name: 2-hydroxy-2-methylpropanoic acid
IUPAC NAME: 2-hydroxy-2-methylpropanoic acid
SYSTEMATIC NAME: 2-methyl-2-oxidanyl-propanoic acid
MOLECULAR FORMULA: C4H8O3
MOLECULAR WEIGHT: 104.10452
SMILES: CC(C)(C(=O)O)O
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Product OPENEYE NAME: 2-methyl-2-nitro-propane
CAS Name: 2-methyl-2-nitropropane
IUPAC NAME: 2-methyl-2-nitropropane
SYSTEMATIC NAME: 2-methyl-2-nitro-propane
MOLECULAR FORMULA: C4H9NO2
MOLECULAR WEIGHT: 103.11976
SMILES: CC(C)(C)[N+](=O)[O-]
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Product OPENEYE NAME: 2-chloro-2-nitro-propane
CAS Name: 2-chloro-2-nitropropane
IUPAC NAME: 2-chloro-2-nitropropane
SYSTEMATIC NAME: 2-chloranyl-2-nitro-propane
MOLECULAR FORMULA: C3H6ClNO2
MOLECULAR WEIGHT: 123.53824
SMILES: CC(C)([N+](=O)[O-])Cl
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Product OPENEYE NAME: 1,1-dichloro-1-nitro-ethane
CAS Name: 1,1-dichloro-1-nitroethane
IUPAC NAME: 1,1-dichloro-1-nitroethane
SYSTEMATIC NAME: 1,1-bis(chloranyl)-1-nitro-ethane
MOLECULAR FORMULA: C2H3Cl2NO2
MOLECULAR WEIGHT: 143.95672
SMILES: CC([N+](=O)[O-])(Cl)Cl
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Product OPENEYE NAME: 2,2,3,3-tetramethylbutane
CAS Name: 2,2,3,3-tetramethylbutane
IUPAC NAME: 2,2,3,3-tetramethylbutane
SYSTEMATIC NAME: 2,2,3,3-tetramethylbutane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CC(C)(C)C(C)(C)C
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Product OPENEYE NAME: 2,3,3-trimethylbutan-2-ol
CAS Name: 2,3,3-trimethyl-2-butanol
IUPAC NAME: 2,3,3-trimethylbutan-2-ol
SYSTEMATIC NAME: 2,3,3-trimethylbutan-2-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CC(C)(C)C(C)(C)O
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Product OPENEYE NAME: 1,1,1,2,2,3,3-heptachloropropane
CAS Name: 1,1,1,2,2,3,3-heptachloropropane
IUPAC NAME: 1,1,1,2,2,3,3-heptachloropropane
SYSTEMATIC NAME: 1,1,1,2,2,3,3-heptakis(chloranyl)propane
MOLECULAR FORMULA: C3HCl7
MOLECULAR WEIGHT: 285.21104
SMILES: C(C(C(Cl)(Cl)Cl)(Cl)Cl)(Cl)Cl
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Product OPENEYE NAME: 1,1,1,2,2,3,3,3-octachloropropane
CAS Name: 1,1,1,2,2,3,3,3-octachloropropane
IUPAC NAME: 1,1,1,2,2,3,3,3-octachloropropane
SYSTEMATIC NAME: 1,1,1,2,2,3,3,3-octakis(chloranyl)propane
MOLECULAR FORMULA: C3Cl8
MOLECULAR WEIGHT: 319.6561
SMILES: C(C(Cl)(Cl)Cl)(C(Cl)(Cl)Cl)(Cl)Cl
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Product OPENEYE NAME: 1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane
CAS Name: 1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane
IUPAC NAME: 1,1,1,2,2,3,4,4,4-nonafluoro-3-(trifluoromethyl)butane
SYSTEMATIC NAME: 1,1,1,2,2,3,4,4,4-nonakis(fluoranyl)-3-(trifluoromethyl)butane
MOLECULAR FORMULA: C5F12
MOLECULAR WEIGHT: 288.034338
SMILES: C(C(C(F)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
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Product OPENEYE NAME: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
CAS Name: 3-[(3S,5R,10S,13R,14S,17R)-3-[[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC NAME: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14,16-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,10S,13R,14S,17R)-3-[(2R,5S)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-14,16-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C30H46O9
MOLECULAR WEIGHT: 550.68084
SMILES: CC1[C@@H](C(C([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CCC4C3CC[C@]5([C@@]4(CC([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)OC)O
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Product OPENEYE NAME: 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one diiodide
CAS Name: 1,1,2,5-tetramethyl-5-(1-methyl-1-piperidin-1-iumyl)-4-piperidin-1-iumone diiodide
IUPAC NAME: 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one diiodide
SYSTEMATIC NAME: 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one diiodide
MOLECULAR FORMULA: C15H30I2N2O
MOLECULAR WEIGHT: 508.22044
SMILES: CC1CC(=O)C(C[N+]1(C)C)(C)[N+]2(CCCCC2)C.[I-].[I-]
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Product OPENEYE NAME: 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
CAS Name: 1,1,2,5-tetramethyl-5-(1-methyl-1-piperidin-1-iumyl)-4-piperidin-1-iumone
IUPAC NAME: 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
SYSTEMATIC NAME: 1,1,2,5-tetramethyl-5-(1-methylpiperidin-1-ium-1-yl)piperidin-1-ium-4-one
MOLECULAR FORMULA: C15H30N2O+2
MOLECULAR WEIGHT: 254.4115
SMILES: CC1CC(=O)C(C[N+]1(C)C)(C)[N+]2(CCCCC2)C
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Product OPENEYE NAME: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CAS Name: acetic acid [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ester
IUPAC NAME: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
SYSTEMATIC NAME: [(8R,9S,10R,13S,14S,17R)-17-ethanoyl-6,10,13-trimethyl-3-oxidanylidene-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] ethanoate
MOLECULAR FORMULA: C24H32O4
MOLECULAR WEIGHT: 384.50848
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
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Product OPENEYE NAME: 2,2-dimethylbutanoic acid
CAS Name: 2,2-dimethylbutanoic acid
IUPAC NAME: 2,2-dimethylbutanoic acid
SYSTEMATIC NAME: 2,2-dimethylbutanoic acid
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCC(C)(C)C(=O)O
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Product OPENEYE NAME: 2,3-dimethylpentan-3-ol
CAS Name: 2,3-dimethyl-3-pentanol
IUPAC NAME: 2,3-dimethylpentan-3-ol
SYSTEMATIC NAME: 2,3-dimethylpentan-3-ol
MOLECULAR FORMULA: C7H16O
MOLECULAR WEIGHT: 116.20134
SMILES: CCC(C)(C(C)C)O
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Product OPENEYE NAME: 2,2-dimethylpropanedioic acid
CAS Name: 2,2-dimethylpropanedioic acid
IUPAC NAME: 2,2-dimethylpropanedioic acid
SYSTEMATIC NAME: 2,2-dimethylpropanedioic acid
MOLECULAR FORMULA: C5H8O4
MOLECULAR WEIGHT: 132.11462
SMILES: CC(C)(C(=O)O)C(=O)O
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Product OPENEYE NAME: (8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
CAS Name: (8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC NAME: (8R,9S,10R,13S,14S,16R,17S)-17-acetyl-16,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,16R,17S)-17-ethanoyl-10,13-dimethyl-16,17-bis(oxidanyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C21H30O4
MOLECULAR WEIGHT: 346.4605
SMILES: CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O
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Product OPENEYE NAME: 1,1,1-trinitroethane
CAS Name: 1,1,1-trinitroethane
IUPAC NAME: 1,1,1-trinitroethane
SYSTEMATIC NAME: 1,1,1-trinitroethane
MOLECULAR FORMULA: C2H3N3O6
MOLECULAR WEIGHT: 165.06172
SMILES: CC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 4',5'-dibromo-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one
CAS Name: 4',5'-dibromo-3',6'-dihydroxy-1-spiro[isobenzofuran-3,9'-xanthene]one
IUPAC NAME: 4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 4',5'-bis(bromanyl)-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C20H10Br2O5
MOLECULAR WEIGHT: 490.0984
SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20ClNO3
MOLECULAR WEIGHT: 309.7879
SMILES: CO[C@@H]1C[C@]23C4=C(CC[NH+]2CC=C3C=C1)COC(=O)C4.[Cl-]
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Product OPENEYE NAME: [bromo(diphenyl)methyl]benzene
CAS Name: [bromo(diphenyl)methyl]benzene
IUPAC NAME: [bromo(diphenyl)methyl]benzene
SYSTEMATIC NAME: [bromanyl(diphenyl)methyl]benzene
MOLECULAR FORMULA: C19H15Br
MOLECULAR WEIGHT: 323.2264
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Br
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Product OPENEYE NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide
CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide
IUPAC NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide
SYSTEMATIC NAME: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide
MOLECULAR FORMULA: C19H28BrNO3
MOLECULAR WEIGHT: 398.33452
SMILES: C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.[Br-]
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