Product OPENEYE NAME: 2,2-dichloroacetic acid; N-isopropylpropan-2-amine
CAS Name: 2,2-dichloroacetic acid; N-propan-2-yl-2-propanamine
IUPAC NAME: 2,2-dichloroacetic acid; N-propan-2-ylpropan-2-amine
SYSTEMATIC NAME: 2,2-bis(chloranyl)ethanoic acid; N-propan-2-ylpropan-2-amine
MOLECULAR FORMULA: C8H17Cl2NO2
MOLECULAR WEIGHT: 230.13208
SMILES: CC(C)NC(C)C.C(C(=O)O)(Cl)Cl
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Product OPENEYE NAME: diethylammonium chloride
CAS Name: diethylammonium chloride
IUPAC NAME: diethylazanium chloride
SYSTEMATIC NAME: diethylazanium chloride
MOLECULAR FORMULA: C4H12ClN
MOLECULAR WEIGHT: 109.59778
SMILES: CC[NH2+]CC.[Cl-]
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Product OPENEYE NAME: 1-fluoroheptane
CAS Name: 1-fluoroheptane
IUPAC NAME: 1-fluoroheptane
SYSTEMATIC NAME: 1-fluoranylheptane
MOLECULAR FORMULA: C7H15F
MOLECULAR WEIGHT: 118.192403
SMILES: CCCCCCCF
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Product OPENEYE NAME: docosan-1-ol
CAS Name: 1-docosanol
IUPAC NAME: docosan-1-ol
SYSTEMATIC NAME: docosan-1-ol
MOLECULAR FORMULA: C22H46O
MOLECULAR WEIGHT: 326.60004
SMILES: CCCCCCCCCCCCCCCCCCCCCCO
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Product OPENEYE NAME: tetramethylammonium tetrafluoroborate
CAS Name: tetramethylammonium tetrafluoroborate
IUPAC NAME: tetramethylazanium tetrafluoroborate
SYSTEMATIC NAME: tetramethylazanium tetrafluoroborate
MOLECULAR FORMULA: C4H12BF4N
MOLECULAR WEIGHT: 160.949393
SMILES: [B-](F)(F)(F)F.C[N+](C)(C)C
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Product OPENEYE NAME: trimethylstannane
CAS Name: trimethylstannane
IUPAC NAME: trimethylstannane
SYSTEMATIC NAME: trimethylstannane
MOLECULAR FORMULA: C3H10Sn
MOLECULAR WEIGHT: 164.8215
SMILES: C[SnH](C)C
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Product OPENEYE NAME: 1,1,1-trichloro-2,2-difluoro-2-methoxy-ethane
CAS Name: 1,1,1-trichloro-2,2-difluoro-2-methoxyethane
IUPAC NAME: 1,1,1-trichloro-2,2-difluoro-2-methoxyethane
SYSTEMATIC NAME: 1,1,1-tris(chloranyl)-2,2-bis(fluoranyl)-2-methoxy-ethane
MOLECULAR FORMULA: C3H3Cl3F2O
MOLECULAR WEIGHT: 199.411126
SMILES: COC(C(Cl)(Cl)Cl)(F)F
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Product OPENEYE NAME: 3-bromo-3-chloro-1,1,1,2,2-pentafluoro-propane
CAS Name: 3-bromo-3-chloro-1,1,1,2,2-pentafluoropropane
IUPAC NAME: 3-bromo-3-chloro-1,1,1,2,2-pentafluoropropane
SYSTEMATIC NAME: 3-bromanyl-3-chloranyl-1,1,1,2,2-pentakis(fluoranyl)propane
MOLECULAR FORMULA: C3HBrClF5
MOLECULAR WEIGHT: 247.389056
SMILES: C(C(C(F)(F)F)(F)F)(Cl)Br
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Product OPENEYE NAME: 2,2,3,3,4,4,4-heptafluorobutanamide
CAS Name: 2,2,3,3,4,4,4-heptafluorobutanamide
IUPAC NAME: 2,2,3,3,4,4,4-heptafluorobutanamide
SYSTEMATIC NAME: 2,2,3,3,4,4,4-heptakis(fluoranyl)butanamide
MOLECULAR FORMULA: C4H2F7NO
MOLECULAR WEIGHT: 213.053602
SMILES: C(=O)(C(C(C(F)(F)F)(F)F)(F)F)N
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Product OPENEYE NAME: 3-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-1,14-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-[(1R,3R,5R,10S,13R,14S,17R)-3-[[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-1,14-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-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,5S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-1,14-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-[(1R,3R,5R,10S,13R,14S,17R)-3-[(2S,5S)-4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-10,13-dimethyl-1,14-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]2C[C@H]3CCC4C([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O
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Product OPENEYE NAME: 1-cyclohexyl-3-(p-tolylsulfonyl)urea
CAS Name: 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea
IUPAC NAME: 1-cyclohexyl-3-(4-methylphenyl)sulfonylurea
SYSTEMATIC NAME: 1-cyclohexyl-3-(4-methylphenyl)sulfonyl-urea
MOLECULAR FORMULA: C14H20N2O3S
MOLECULAR WEIGHT: 296.3852
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2
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Product OPENEYE NAME: 2-hydroxynonadecane-1,2,3-tricarboxylic acid
CAS Name: 2-hydroxynonadecane-1,2,3-tricarboxylic acid
IUPAC NAME: 2-hydroxynonadecane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: 2-oxidanylnonadecane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C22H40O7
MOLECULAR WEIGHT: 416.5488
SMILES: CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O
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Product OPENEYE NAME: 2-(diphenylcarbamoyloxy)ethyl-diethyl-ammonium chloride
CAS Name: diethyl-[2-[oxo-(N-phenylanilino)methoxy]ethyl]ammonium chloride
IUPAC NAME: 2-(diphenylcarbamoyloxy)ethyl-diethylazanium chloride
SYSTEMATIC NAME: 2-(diphenylcarbamoyloxy)ethyl-diethyl-azanium chloride
MOLECULAR FORMULA: C19H25ClN2O2
MOLECULAR WEIGHT: 348.867
SMILES: CC[NH+](CC)CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: 2-(diethylamino)ethyl N,N-diphenylcarbamate
CAS Name: N,N-diphenylcarbamic acid 2-(diethylamino)ethyl ester
IUPAC NAME: 2-(diethylamino)ethyl N,N-diphenylcarbamate
SYSTEMATIC NAME: 2-(diethylamino)ethyl N,N-diphenylcarbamate
MOLECULAR FORMULA: C19H24N2O2
MOLECULAR WEIGHT: 312.40606
SMILES: CCN(CC)CCOC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 7-methylbenzofuran-3-one
CAS Name: 7-methyl-3-benzofuranone
IUPAC NAME: 7-methyl-1-benzofuran-3-one
SYSTEMATIC NAME: 7-methyl-1-benzofuran-3-one
MOLECULAR FORMULA: C9H8O2
MOLECULAR WEIGHT: 148.15862
SMILES: CC1=CC=CC2=C1OCC2=O
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Product OPENEYE NAME: 2-(2,6-dimethylphenoxy)ethyl-trimethyl-ammonium bromide
CAS Name: 2-(2,6-dimethylphenoxy)ethyl-trimethylammonium bromide
IUPAC NAME: 2-(2,6-dimethylphenoxy)ethyl-trimethylazanium bromide
SYSTEMATIC NAME: 2-(2,6-dimethylphenoxy)ethyl-trimethyl-azanium bromide
MOLECULAR FORMULA: C13H22BrNO
MOLECULAR WEIGHT: 288.22388
SMILES: CC1=C(C(=CC=C1)C)OCC[N+](C)(C)C.[Br-]
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Product OPENEYE NAME: 2-(2,6-dimethylphenoxy)ethyl-trimethyl-ammonium
CAS Name: 2-(2,6-dimethylphenoxy)ethyl-trimethylammonium
IUPAC NAME: 2-(2,6-dimethylphenoxy)ethyl-trimethylazanium
SYSTEMATIC NAME: 2-(2,6-dimethylphenoxy)ethyl-trimethyl-azanium
MOLECULAR FORMULA: C13H22NO+
MOLECULAR WEIGHT: 208.31988
SMILES: CC1=C(C(=CC=C1)C)OCC[N+](C)(C)C
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Product OPENEYE NAME: ethene-1,1,2,2-tetracarbonitrile
CAS Name: ethene-1,1,2,2-tetracarbonitrile
IUPAC NAME: ethene-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: ethene-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C6N4
MOLECULAR WEIGHT: 128.091
SMILES: C(#N)C(=C(C#N)C#N)C#N
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Product OPENEYE NAME: (2-chloro-3,4-dimethyl-phenyl) N-methylcarbamate
CAS Name: N-methylcarbamic acid (2-chloro-3,4-dimethylphenyl) ester
IUPAC NAME: (2-chloro-3,4-dimethylphenyl) N-methylcarbamate
SYSTEMATIC NAME: (2-chloranyl-3,4-dimethyl-phenyl) N-methylcarbamate
MOLECULAR FORMULA: C10H12ClNO2
MOLECULAR WEIGHT: 213.66078
SMILES: CC1=C(C(=C(C=C1)OC(=O)NC)Cl)C
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Product OPENEYE NAME: 1,2-dimethylpiperidine
CAS Name: 1,2-dimethylpiperidine
IUPAC NAME: 1,2-dimethylpiperidine
SYSTEMATIC NAME: 1,2-dimethylpiperidine
MOLECULAR FORMULA: C7H15N
MOLECULAR WEIGHT: 113.2007
SMILES: CC1CCCCN1C
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