Product OPENEYE NAME: 1-tert-butylsulfonyl-2-methyl-benzene
CAS Name: 1-tert-butylsulfonyl-2-methylbenzene
IUPAC NAME: 1-tert-butylsulfonyl-2-methylbenzene
SYSTEMATIC NAME: 1-tert-butylsulfonyl-2-methyl-benzene
MOLECULAR FORMULA: C11H16O2S
MOLECULAR WEIGHT: 212.30854
SMILES: CC1=CC=CC=C1S(=O)(=O)C(C)(C)C
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Product OPENEYE NAME: [(3R,4R,7R)-4-hydroxy-7-isopropenyl-4-methyl-selenepan-3-yl] acetate
CAS Name: acetic acid [(3R,4R,7R)-4-hydroxy-4-methyl-7-(1-methylethenyl)-3-selenepanyl] ester
IUPAC NAME: [(3R,4R,7R)-4-hydroxy-4-methyl-7-prop-1-en-2-ylselenepan-3-yl] acetate
SYSTEMATIC NAME: [(3R,4R,7R)-4-methyl-4-oxidanyl-7-prop-1-en-2-yl-selenepan-3-yl] ethanoate
MOLECULAR FORMULA: C12H20O3Se
MOLECULAR WEIGHT: 291.2454
SMILES: CC(=C)[C@H]1CC[C@@]([C@H](C[Se]1)OC(=O)C)(C)O
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Product OPENEYE NAME: N-methoxy-2,2,4,4-tetramethyl-pentan-3-imine
CAS Name: N-methoxy-2,2,4,4-tetramethyl-3-pentanimine
IUPAC NAME: N-methoxy-2,2,4,4-tetramethylpentan-3-imine
SYSTEMATIC NAME: N-methoxy-2,2,4,4-tetramethyl-pentan-3-imine
MOLECULAR FORMULA: C10H21NO
MOLECULAR WEIGHT: 171.27984
SMILES: CC(C)(C)C(=NOC)C(C)(C)C
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Product OPENEYE NAME: 2-phenyl-5-(2-phenylthiazol-5-yl)sulfanyl-oxazole
CAS Name: 2-phenyl-5-[(2-phenyl-5-thiazolyl)thio]oxazole
IUPAC NAME: 2-phenyl-5-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]-1,3-oxazole
SYSTEMATIC NAME: 2-phenyl-5-[(2-phenyl-1,3-thiazol-5-yl)sulfanyl]-1,3-oxazole
MOLECULAR FORMULA: C18H12N2OS2
MOLECULAR WEIGHT: 336.43068
SMILES: C1=CC=C(C=C1)C2=NC=C(O2)SC3=CN=C(S3)C4=CC=CC=C4
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Product OPENEYE NAME: 6a-ethoxy-5,6-dihydro-4H-cyclopenta[b]furan-2-one
CAS Name: 6a-ethoxy-5,6-dihydro-4H-cyclopenta[b]furan-2-one
IUPAC NAME: 6a-ethoxy-5,6-dihydro-4H-cyclopenta[b]furan-2-one
SYSTEMATIC NAME: 6a-ethoxy-5,6-dihydro-4H-cyclopenta[b]furan-2-one
MOLECULAR FORMULA: C9H12O3
MOLECULAR WEIGHT: 168.18978
SMILES: CCOC12CCCC1=CC(=O)O2
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Product OPENEYE NAME: ethyl 1-isocyanatocyclobutanecarboxylate
CAS Name: 1-isocyanato-1-cyclobutanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-isocyanatocyclobutane-1-carboxylate
SYSTEMATIC NAME: ethyl 1-isocyanatocyclobutane-1-carboxylate
MOLECULAR FORMULA: C8H11NO3
MOLECULAR WEIGHT: 169.17784
SMILES: CCOC(=O)C1(CCC1)N=C=O
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Product OPENEYE NAME: ethyl 1-(methoxycarbonylamino)cyclobutanecarboxylate
CAS Name: 1-(methoxycarbonylamino)-1-cyclobutanecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-(methoxycarbonylamino)cyclobutane-1-carboxylate
SYSTEMATIC NAME: ethyl 1-(methoxycarbonylamino)cyclobutane-1-carboxylate
MOLECULAR FORMULA: C9H15NO4
MOLECULAR WEIGHT: 201.2197
SMILES: CCOC(=O)C1(CCC1)NC(=O)OC
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Product OPENEYE NAME: 5-bromo-2-[[(Z)-3-carboxyprop-2-enoyl]amino]benzoic acid
CAS Name: 5-bromo-2-[[(Z)-3-carboxy-1-oxoprop-2-enyl]amino]benzoic acid
IUPAC NAME: 5-bromo-2-[[(Z)-3-carboxyprop-2-enoyl]amino]benzoic acid
SYSTEMATIC NAME: 5-bromanyl-2-[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]benzoic acid
MOLECULAR FORMULA: C11H8BrNO5
MOLECULAR WEIGHT: 314.08892
SMILES: C1=CC(=C(C=C1Br)C(=O)O)NC(=O)/C=C\C(=O)O
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Product OPENEYE NAME: 10-hydroxybicyclo[7.1.0]decane-10-carbonitrile
CAS Name: 10-hydroxy-10-bicyclo[7.1.0]decanecarbonitrile
IUPAC NAME: 10-hydroxybicyclo[7.1.0]decane-10-carbonitrile
SYSTEMATIC NAME: 10-oxidanylbicyclo[7.1.0]decane-10-carbonitrile
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: C1CCCC2C(C2(C#N)O)CCC1
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Product OPENEYE NAME: 12-hydroxybicyclo[9.1.0]dodecane-12-carbonitrile
CAS Name: 12-hydroxy-12-bicyclo[9.1.0]dodecanecarbonitrile
IUPAC NAME: 12-hydroxybicyclo[9.1.0]dodecane-12-carbonitrile
SYSTEMATIC NAME: 12-oxidanylbicyclo[9.1.0]dodecane-12-carbonitrile
MOLECULAR FORMULA: C13H21NO
MOLECULAR WEIGHT: 207.31194
SMILES: C1CCCCC2C(C2(C#N)O)CCCC1
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Product OPENEYE NAME: 9-oxabicyclo[6.1.0]nonane-8-carbonitrile
CAS Name: 9-oxabicyclo[6.1.0]nonane-8-carbonitrile
IUPAC NAME: 9-oxabicyclo[6.1.0]nonane-8-carbonitrile
SYSTEMATIC NAME: 9-oxabicyclo[6.1.0]nonane-8-carbonitrile
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C1CCCC2(C(O2)CC1)C#N
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Product OPENEYE NAME: 3-methyl-1-pyrrolidin-1-yl-but-2-en-1-one
CAS Name: 3-methyl-1-(1-pyrrolidinyl)-2-buten-1-one
IUPAC NAME: 3-methyl-1-pyrrolidin-1-ylbut-2-en-1-one
SYSTEMATIC NAME: 3-methyl-1-pyrrolidin-1-yl-but-2-en-1-one
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: CC(=CC(=O)N1CCCC1)C
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Product OPENEYE NAME: 1,1,2,2,3,3-hexafluoro-1-iodo-propane
CAS Name: 1,1,2,2,3,3-hexafluoro-1-iodopropane
IUPAC NAME: 1,1,2,2,3,3-hexafluoro-1-iodopropane
SYSTEMATIC NAME: 1,1,2,2,3,3-hexakis(fluoranyl)-1-iodanyl-propane
MOLECULAR FORMULA: C3HF6I
MOLECULAR WEIGHT: 277.934929
SMILES: C(C(C(F)(F)I)(F)F)(F)F
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Product OPENEYE NAME: 1,1,2,2,3,3-hexafluoropropane-1-sulfinic acid
CAS Name: 1,1,2,2,3,3-hexafluoro-1-propanesulfinic acid
IUPAC NAME: 1,1,2,2,3,3-hexafluoropropane-1-sulfinic acid
SYSTEMATIC NAME: 1,1,2,2,3,3-hexakis(fluoranyl)propane-1-sulfinic acid
MOLECULAR FORMULA: C3H2F6O2S
MOLECULAR WEIGHT: 216.102199
SMILES: C(C(C(F)(F)S(=O)O)(F)F)(F)F
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Product OPENEYE NAME: (3-dibenzyloxyphosphoryloxy-2-oxo-propyl) benzoate
CAS Name: benzoic acid [3-bis(phenylmethoxy)phosphoryloxy-2-oxopropyl] ester
IUPAC NAME: [3-bis(phenylmethoxy)phosphoryloxy-2-oxopropyl] benzoate
SYSTEMATIC NAME: [3-bis(phenylmethoxy)phosphoryloxy-2-oxidanylidene-propyl] benzoate
MOLECULAR FORMULA: C24H23O7P
MOLECULAR WEIGHT: 454.408981
SMILES: C1=CC=C(C=C1)COP(=O)(OCC2=CC=CC=C2)OCC(=O)COC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 1-cyclopropylethyl 4-nitrobenzoate
CAS Name: 4-nitrobenzoic acid 1-cyclopropylethyl ester
IUPAC NAME: 1-cyclopropylethyl 4-nitrobenzoate
SYSTEMATIC NAME: 1-cyclopropylethyl 4-nitrobenzoate
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CC(C1CC1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
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Product OPENEYE NAME: (2-methyl-2-phenyl-propyl) methanesulfonate
CAS Name: methanesulfonic acid (2-methyl-2-phenylpropyl) ester
IUPAC NAME: (2-methyl-2-phenylpropyl) methanesulfonate
SYSTEMATIC NAME: (2-methyl-2-phenyl-propyl) methanesulfonate
MOLECULAR FORMULA: C11H16O3S
MOLECULAR WEIGHT: 228.30794
SMILES: CC(C)(COS(=O)(=O)C)C1=CC=CC=C1
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