Product OPENEYE NAME: 2-bromoacetonitrile
CAS Name: 2-bromoacetonitrile
IUPAC NAME: 2-bromoacetonitrile
SYSTEMATIC NAME: 2-bromanylethanenitrile
MOLECULAR FORMULA: C2H2BrN
MOLECULAR WEIGHT: 119.94798
SMILES: C(C#N)Br
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Product OPENEYE NAME: buta-1,2-diene
CAS Name: buta-1,2-diene
IUPAC NAME: buta-1,2-diene
SYSTEMATIC NAME: buta-1,2-diene
MOLECULAR FORMULA: C4H6
MOLECULAR WEIGHT: 54.09044
SMILES: CC=C=C
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Product OPENEYE NAME: 1-chloroprop-1-ene
CAS Name: 1-chloro-1-propene
IUPAC NAME: 1-chloroprop-1-ene
SYSTEMATIC NAME: 1-chloranylprop-1-ene
MOLECULAR FORMULA: C3H5Cl
MOLECULAR WEIGHT: 76.5248
SMILES: CC=CCl
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Product OPENEYE NAME: 2,2-dimethylpentane
CAS Name: 2,2-dimethylpentane
IUPAC NAME: 2,2-dimethylpentane
SYSTEMATIC NAME: 2,2-dimethylpentane
MOLECULAR FORMULA: C7H16
MOLECULAR WEIGHT: 100.20194
SMILES: CCCC(C)(C)C
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Product OPENEYE NAME: 2-methylpentan-2-ol
CAS Name: 2-methyl-2-pentanol
IUPAC NAME: 2-methylpentan-2-ol
SYSTEMATIC NAME: 2-methylpentan-2-ol
MOLECULAR FORMULA: C6H14O
MOLECULAR WEIGHT: 102.17476
SMILES: CCCC(C)(C)O
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Product OPENEYE NAME: 2-isothiocyanato-2-methyl-propane
CAS Name: 2-isothiocyanato-2-methylpropane
IUPAC NAME: 2-isothiocyanato-2-methylpropane
SYSTEMATIC NAME: 2-isothiocyanato-2-methyl-propane
MOLECULAR FORMULA: C5H9NS
MOLECULAR WEIGHT: 115.19666
SMILES: CC(C)(C)N=C=S
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Product OPENEYE NAME: carboxymethyl(trimethyl)ammonium chloride
CAS Name: carboxymethyl(trimethyl)ammonium chloride
IUPAC NAME: carboxymethyl(trimethyl)azanium chloride
SYSTEMATIC NAME: 2-hydroxy-2-oxoethyl(trimethyl)azanium chloride
MOLECULAR FORMULA: C5H12ClNO2
MOLECULAR WEIGHT: 153.60728
SMILES: C[N+](C)(C)CC(=O)O.[Cl-]
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Product OPENEYE NAME: 4,4-dimethylpentan-2-one
CAS Name: 4,4-dimethyl-2-pentanone
IUPAC NAME: 4,4-dimethylpentan-2-one
SYSTEMATIC NAME: 4,4-dimethylpentan-2-one
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC(=O)CC(C)(C)C
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Product OPENEYE NAME: [dimethylamino(methoxy)phosphoryl] diethyl phosphite
CAS Name: phosphorous acid [dimethylamino(methoxy)phosphoryl] diethyl ester
IUPAC NAME: [dimethylamino(methoxy)phosphoryl] diethyl phosphite
SYSTEMATIC NAME: [dimethylamino(methoxy)phosphoryl] diethyl phosphite
MOLECULAR FORMULA: C7H19NO5P2
MOLECULAR WEIGHT: 259.176982
SMILES: CCOP(OCC)OP(=O)(N(C)C)OC
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Product OPENEYE NAME: 2-carbamoyloxypropyl(trimethyl)ammonium chloride
CAS Name: 2-carbamoyloxypropyl(trimethyl)ammonium chloride
IUPAC NAME: 2-carbamoyloxypropyl(trimethyl)azanium chloride
SYSTEMATIC NAME: 2-aminocarbonyloxypropyl(trimethyl)azanium chloride
MOLECULAR FORMULA: C7H17ClN2O2
MOLECULAR WEIGHT: 196.67508
SMILES: CC(C[N+](C)(C)C)OC(=O)N.[Cl-]
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Product OPENEYE NAME: 1,1-dimethylcyclohexane
CAS Name: 1,1-dimethylcyclohexane
IUPAC NAME: 1,1-dimethylcyclohexane
SYSTEMATIC NAME: 1,1-dimethylcyclohexane
MOLECULAR FORMULA: C8H16
MOLECULAR WEIGHT: 112.21264
SMILES: CC1(CCCCC1)C
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Product OPENEYE NAME: 1-methylcyclohexanol
CAS Name: 1-methyl-1-cyclohexanol
IUPAC NAME: 1-methylcyclohexan-1-ol
SYSTEMATIC NAME: 1-methylcyclohexan-1-ol
MOLECULAR FORMULA: C7H14O
MOLECULAR WEIGHT: 114.18546
SMILES: CC1(CCCCC1)O
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Product OPENEYE NAME: 2,2-dimethylhexane
CAS Name: 2,2-dimethylhexane
IUPAC NAME: 2,2-dimethylhexane
SYSTEMATIC NAME: 2,2-dimethylhexane
MOLECULAR FORMULA: C8H18
MOLECULAR WEIGHT: 114.22852
SMILES: CCCCC(C)(C)C
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Product OPENEYE NAME: 3-methylbutanal
CAS Name: 3-methylbutanal
IUPAC NAME: 3-methylbutanal
SYSTEMATIC NAME: 3-methylbutanal
MOLECULAR FORMULA: C5H10O
MOLECULAR WEIGHT: 86.1323
SMILES: CC(C)CC=O
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