Product OPENEYE NAME: cyclopentanol
CAS Name: cyclopentanol
IUPAC NAME: cyclopentanol
SYSTEMATIC NAME: cyclopentanol
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: C1CCC(C1)O
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Product OPENEYE NAME: 2-chlorothiophene
CAS Name: 2-chlorothiophene
IUPAC NAME: 2-chlorothiophene
SYSTEMATIC NAME: 2-chloranylthiophene
MOLECULAR FORMULA: C4H3ClS
MOLECULAR WEIGHT: 118.58462
SMILES: C1=CSC(=C1)Cl
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Product OPENEYE NAME: 2-methyltetrahydrofuran
CAS Name: 2-methyloxolane
IUPAC NAME: 2-methyloxolane
SYSTEMATIC NAME: 2-methyloxolane
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CC1CCCO1
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Product OPENEYE NAME: tetrahydrofuran-2-one
CAS Name: 2-oxolanone
IUPAC NAME: oxolan-2-one
SYSTEMATIC NAME: oxolan-2-one
MOLECULAR FORMULA: C4H6O2
MOLECULAR WEIGHT: 86.08924
SMILES: C1CC(=O)OC1
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Product OPENEYE NAME: 1,3-dioxolan-2-one
CAS Name: 1,3-dioxolan-2-one
IUPAC NAME: 1,3-dioxolan-2-one
SYSTEMATIC NAME: 1,3-dioxolan-2-one
MOLECULAR FORMULA: C3H4O3
MOLECULAR WEIGHT: 88.06206
SMILES: C1COC(=O)O1
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Product OPENEYE NAME: 1-methylpyrrole
CAS Name: 1-methylpyrrole
IUPAC NAME: 1-methylpyrrole
SYSTEMATIC NAME: 1-methylpyrrole
MOLECULAR FORMULA: C5H7N
MOLECULAR WEIGHT: 81.11578
SMILES: CN1C=CC=C1
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Product OPENEYE NAME: 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethyl-butane
CAS Name: 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
IUPAC NAME: 3-[fluoro(methyl)phosphoryl]oxy-2,2-dimethylbutane
SYSTEMATIC NAME: 3-[fluoranyl(methyl)phosphoryl]oxy-2,2-dimethyl-butane
MOLECULAR FORMULA: C7H16FO2P
MOLECULAR WEIGHT: 182.172904
SMILES: CC(C(C)(C)C)OP(=O)(C)F
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Product OPENEYE NAME: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methyl-phenyl)sulfanyl-6-methyl-phenol
CAS Name: 2-tert-butyl-4-[(3-tert-butyl-4-hydroxy-5-methylphenyl)thio]-6-methylphenol
IUPAC NAME: 2-tert-butyl-4-(3-tert-butyl-4-hydroxy-5-methylphenyl)sulfanyl-6-methylphenol
SYSTEMATIC NAME: 2-tert-butyl-4-(3-tert-butyl-5-methyl-4-oxidanyl-phenyl)sulfanyl-6-methyl-phenol
MOLECULAR FORMULA: C22H30O2S
MOLECULAR WEIGHT: 358.5374
SMILES: CC1=CC(=CC(=C1O)C(C)(C)C)SC2=CC(=C(C(=C2)C)O)C(C)(C)C
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Product OPENEYE NAME: 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methyl-phenyl)sulfanyl-5-methyl-phenol
CAS Name: 2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)thio]-5-methylphenol
IUPAC NAME: 2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
SYSTEMATIC NAME: 2-tert-butyl-4-(5-tert-butyl-2-methyl-4-oxidanyl-phenyl)sulfanyl-5-methyl-phenol
MOLECULAR FORMULA: C22H30O2S
MOLECULAR WEIGHT: 358.5374
SMILES: CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
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Product OPENEYE NAME: 2-tert-butyl-4-ethyl-phenol
CAS Name: 2-tert-butyl-4-ethylphenol
IUPAC NAME: 2-tert-butyl-4-ethylphenol
SYSTEMATIC NAME: 2-tert-butyl-4-ethyl-phenol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CCC1=CC(=C(C=C1)O)C(C)(C)C
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Product OPENEYE NAME: 2-chloro-5-nitro-benzenesulfonic acid
CAS Name: 2-chloro-5-nitrobenzenesulfonic acid
IUPAC NAME: 2-chloro-5-nitrobenzenesulfonic acid
SYSTEMATIC NAME: 2-chloranyl-5-nitro-benzenesulfonic acid
MOLECULAR FORMULA: C6H4ClNO5S
MOLECULAR WEIGHT: 237.61766
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])S(=O)(=O)O)Cl
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Product OPENEYE NAME: 2,4-ditert-butylphenol
CAS Name: 2,4-ditert-butylphenol
IUPAC NAME: 2,4-ditert-butylphenol
SYSTEMATIC NAME: 2,4-ditert-butylphenol
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
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Product OPENEYE NAME: N-(2-chloroethyl)-N-isopropyl-propan-2-amine
CAS Name: N-(2-chloroethyl)-N-propan-2-yl-2-propanamine
IUPAC NAME: N-(2-chloroethyl)-N-propan-2-ylpropan-2-amine
SYSTEMATIC NAME: N-(2-chloroethyl)-N-propan-2-yl-propan-2-amine
MOLECULAR FORMULA: C8H18ClN
MOLECULAR WEIGHT: 163.68822
SMILES: CC(C)N(CCCl)C(C)C
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Product OPENEYE NAME: 2-(diisopropylamino)ethanol
CAS Name: 2-[di(propan-2-yl)amino]ethanol
IUPAC NAME: 2-[di(propan-2-yl)amino]ethanol
SYSTEMATIC NAME: 2-[di(propan-2-yl)amino]ethanol
MOLECULAR FORMULA: C8H19NO
MOLECULAR WEIGHT: 145.24256
SMILES: CC(C)N(CCO)C(C)C
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Product OPENEYE NAME: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hexanoic acid
CAS Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]hexanoic acid
IUPAC NAME: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanoic acid
SYSTEMATIC NAME: (2R,3R,4R,5R)-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5,6-tetrakis(oxidanyl)hexanoic acid
MOLECULAR FORMULA: C12H22O12
MOLECULAR WEIGHT: 358.29588
SMILES: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](CO)O)[C@@H]([C@H](C(=O)O)O)O)O)O)O)O
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Product OPENEYE NAME: 2-[(3-hydroxy-2,4,6-triiodo-phenyl)methyl]butanoic acid
CAS Name: 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid
IUPAC NAME: 2-[(3-hydroxy-2,4,6-triiodophenyl)methyl]butanoic acid
SYSTEMATIC NAME: 2-[[2,4,6-tris(iodanyl)-3-oxidanyl-phenyl]methyl]butanoic acid
MOLECULAR FORMULA: C11H11I3O3
MOLECULAR WEIGHT: 571.91665
SMILES: CCC(CC1=C(C(=C(C=C1I)I)O)I)C(=O)O
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Product OPENEYE NAME: 2-hydroxy-5-nitro-benzoic acid
CAS Name: 2-hydroxy-5-nitrobenzoic acid
IUPAC NAME: 2-hydroxy-5-nitrobenzoic acid
SYSTEMATIC NAME: 5-nitro-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H5NO5
MOLECULAR WEIGHT: 183.1183
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)O
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Product OPENEYE NAME: 4-methyl-3-nitro-benzoic acid
CAS Name: 4-methyl-3-nitrobenzoic acid
IUPAC NAME: 4-methyl-3-nitrobenzoic acid
SYSTEMATIC NAME: 4-methyl-3-nitro-benzoic acid
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: CC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: 4-chloro-3-nitro-benzoic acid
CAS Name: 4-chloro-3-nitrobenzoic acid
IUPAC NAME: 4-chloro-3-nitrobenzoic acid
SYSTEMATIC NAME: 4-chloranyl-3-nitro-benzoic acid
MOLECULAR FORMULA: C7H4ClNO4
MOLECULAR WEIGHT: 201.56396
SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 2,4-dinitroaniline
CAS Name: 2,4-dinitroaniline
IUPAC NAME: 2,4-dinitroaniline
SYSTEMATIC NAME: 2,4-dinitroaniline
MOLECULAR FORMULA: C6H5N3O4
MOLECULAR WEIGHT: 183.1216
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
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Product OPENEYE NAME: 2-hydroxy-5-sulfo-benzoic acid
CAS Name: 2-hydroxy-5-sulfobenzoic acid
IUPAC NAME: 2-hydroxy-5-sulfobenzoic acid
SYSTEMATIC NAME: 2-oxidanyl-5-sulfo-benzoic acid
MOLECULAR FORMULA: C7H6O6S
MOLECULAR WEIGHT: 218.18394
SMILES: C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O
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Product OPENEYE NAME: 4-chloro-3-nitro-benzenesulfonyl chloride
CAS Name: 4-chloro-3-nitrobenzenesulfonyl chloride
IUPAC NAME: 4-chloro-3-nitrobenzenesulfonyl chloride
SYSTEMATIC NAME: 4-chloranyl-3-nitro-benzenesulfonyl chloride
MOLECULAR FORMULA: C6H3Cl2NO4S
MOLECULAR WEIGHT: 256.06332
SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)[N+](=O)[O-])Cl
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Product OPENEYE NAME: 4-chloro-3-nitro-benzenesulfonamide
CAS Name: 4-chloro-3-nitrobenzenesulfonamide
IUPAC NAME: 4-chloro-3-nitrobenzenesulfonamide
SYSTEMATIC NAME: 4-chloranyl-3-nitro-benzenesulfonamide
MOLECULAR FORMULA: C6H5ClN2O4S
MOLECULAR WEIGHT: 236.6329
SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])Cl
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