Product OPENEYE NAME: 1-nitrosopiperidine
CAS Name: 1-nitrosopiperidine
IUPAC NAME: 1-nitrosopiperidine
SYSTEMATIC NAME: 1-nitrosopiperidine
MOLECULAR FORMULA: C5H10N2O
MOLECULAR WEIGHT: 114.1457
SMILES: C1CCN(CC1)N=O
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Product OPENEYE NAME: quinuclidine
CAS Name: 1-azabicyclo[2.2.2]octane
IUPAC NAME: 1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C7H13N
MOLECULAR WEIGHT: 111.18482
SMILES: C1CN2CCC1CC2
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Product OPENEYE NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CAS Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
IUPAC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
SYSTEMATIC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol
MOLECULAR FORMULA: C6H12O3
MOLECULAR WEIGHT: 132.15768
SMILES: CC1(OCC(O1)CO)C
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Product OPENEYE NAME: 1-methyl-3-vinyl-benzene
CAS Name: 1-ethenyl-3-methylbenzene
IUPAC NAME: 1-ethenyl-3-methylbenzene
SYSTEMATIC NAME: 1-ethenyl-3-methyl-benzene
MOLECULAR FORMULA: C9H10
MOLECULAR WEIGHT: 118.1757
SMILES: CC1=CC=CC(=C1)C=C
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Product OPENEYE NAME: 1-methoxy-3-methyl-benzene
CAS Name: 1-methoxy-3-methylbenzene
IUPAC NAME: 1-methoxy-3-methylbenzene
SYSTEMATIC NAME: 1-methoxy-3-methyl-benzene
MOLECULAR FORMULA: C8H10O
MOLECULAR WEIGHT: 122.1644
SMILES: CC1=CC(=CC=C1)OC
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Product OPENEYE NAME: 2-methyl-1-phenyl-propan-2-ol
CAS Name: 2-methyl-1-phenyl-2-propanol
IUPAC NAME: 2-methyl-1-phenylpropan-2-ol
SYSTEMATIC NAME: 2-methyl-1-phenyl-propan-2-ol
MOLECULAR FORMULA: C10H14O
MOLECULAR WEIGHT: 150.21756
SMILES: CC(C)(CC1=CC=CC=C1)O
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Product OPENEYE NAME: phenylmethanesulfonic acid
CAS Name: phenylmethanesulfonic acid
IUPAC NAME: phenylmethanesulfonic acid
SYSTEMATIC NAME: phenylmethanesulfonic acid
MOLECULAR FORMULA: C7H8O3S
MOLECULAR WEIGHT: 172.20162
SMILES: C1=CC=C(C=C1)CS(=O)(=O)O
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Product OPENEYE NAME: cyclohexylsulfamic acid
CAS Name: cyclohexylsulfamic acid
IUPAC NAME: cyclohexylsulfamic acid
SYSTEMATIC NAME: cyclohexylsulfamic acid
MOLECULAR FORMULA: C6H13NO3S
MOLECULAR WEIGHT: 179.23732
SMILES: C1CCC(CC1)NS(=O)(=O)O
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Product OPENEYE NAME: (1,2,2,6-tetramethyl-4-piperidyl) 2-hydroxy-2-phenyl-acetate
CAS Name: 2-hydroxy-2-phenylacetic acid (1,2,2,6-tetramethyl-4-piperidinyl) ester
IUPAC NAME: (1,2,2,6-tetramethylpiperidin-4-yl) 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: (1,2,2,6-tetramethylpiperidin-4-yl) 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C17H25NO3
MOLECULAR WEIGHT: 291.3853
SMILES: CC1CC(CC(N1C)(C)C)OC(=O)C(C2=CC=CC=C2)O
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Product OPENEYE NAME: benzyl-[2-(dodecylamino)-2-oxo-ethyl]-dimethyl-ammonium chloride
CAS Name: [2-(dodecylamino)-2-oxoethyl]-dimethyl-(phenylmethyl)ammonium chloride
IUPAC NAME: benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium chloride
SYSTEMATIC NAME: [2-(dodecylamino)-2-oxidanylidene-ethyl]-dimethyl-(phenylmethyl)azanium chloride
MOLECULAR FORMULA: C23H41ClN2O
MOLECULAR WEIGHT: 397.03744
SMILES: CCCCCCCCCCCCNC(=O)C[N+](C)(C)CC1=CC=CC=C1.[Cl-]
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Product OPENEYE NAME: benzyl-[2-(dodecylamino)-2-oxo-ethyl]-dimethyl-ammonium
CAS Name: [2-(dodecylamino)-2-oxoethyl]-dimethyl-(phenylmethyl)ammonium
IUPAC NAME: benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium
SYSTEMATIC NAME: [2-(dodecylamino)-2-oxidanylidene-ethyl]-dimethyl-(phenylmethyl)azanium
MOLECULAR FORMULA: C23H41N2O+
MOLECULAR WEIGHT: 361.58444
SMILES: CCCCCCCCCCCCNC(=O)C[N+](C)(C)CC1=CC=CC=C1
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Product OPENEYE NAME: aluminum 2-methanidylpropane
CAS Name: aluminum 2-methanidylpropane
IUPAC NAME: aluminum 2-methanidylpropane
SYSTEMATIC NAME: aluminum 2-methanidylpropane
MOLECULAR FORMULA: C12H27Al
MOLECULAR WEIGHT: 198.324318
SMILES: CC(C)[CH2-].CC(C)[CH2-].CC(C)[CH2-].[Al+3]
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Product OPENEYE NAME: tris(2-amino-1-methyl-ethyl) borate
CAS Name: tris(1-aminopropan-2-yl) borate
IUPAC NAME: tris(1-aminopropan-2-yl) borate
SYSTEMATIC NAME: tris(1-azanylpropan-2-yl) borate
MOLECULAR FORMULA: C9H24BN3O3
MOLECULAR WEIGHT: 233.11616
SMILES: B(OC(C)CN)(OC(C)CN)OC(C)CN
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Product OPENEYE NAME: 1,2,3-triphenylguanidine
CAS Name: 1,2,3-triphenylguanidine
IUPAC NAME: 1,2,3-triphenylguanidine
SYSTEMATIC NAME: 1,2,3-triphenylguanidine
MOLECULAR FORMULA: C19H17N3
MOLECULAR WEIGHT: 287.35838
SMILES: C1=CC=C(C=C1)NC(=NC2=CC=CC=C2)NC3=CC=CC=C3
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Product OPENEYE NAME: triphenyl phosphite
CAS Name: phosphorous acid triphenyl ester
IUPAC NAME: triphenyl phosphite
SYSTEMATIC NAME: triphenyl phosphite
MOLECULAR FORMULA: C18H15O3P
MOLECULAR WEIGHT: 310.283661
SMILES: C1=CC=C(C=C1)OP(OC2=CC=CC=C2)OC3=CC=CC=C3
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Product OPENEYE NAME: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
CAS Name: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
IUPAC NAME: 4,6-dichloro-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
SYSTEMATIC NAME: 4,6-bis(chloranyl)-N-(2-chlorophenyl)-1,3,5-triazin-2-amine
MOLECULAR FORMULA: C9H5Cl3N4
MOLECULAR WEIGHT: 275.5218
SMILES: C1=CC=C(C(=C1)NC2=NC(=NC(=N2)Cl)Cl)Cl
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Product OPENEYE NAME: 2-(3-chlorophenoxy)propanoic acid
CAS Name: 2-(3-chlorophenoxy)propanoic acid
IUPAC NAME: 2-(3-chlorophenoxy)propanoic acid
SYSTEMATIC NAME: 2-(3-chloranylphenoxy)propanoic acid
MOLECULAR FORMULA: C9H9ClO3
MOLECULAR WEIGHT: 200.61896
SMILES: CC(C(=O)O)OC1=CC(=CC=C1)Cl
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Product OPENEYE NAME: 4-[(4-amino-3-chloro-phenyl)methyl]-2-chloro-aniline
CAS Name: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline
IUPAC NAME: 4-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline
SYSTEMATIC NAME: 4-[(4-azanyl-3-chloranyl-phenyl)methyl]-2-chloranyl-aniline
MOLECULAR FORMULA: C13H12Cl2N2
MOLECULAR WEIGHT: 267.15378
SMILES: C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)Cl)Cl)N
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Product OPENEYE NAME: 3-methoxy-N-phenyl-aniline
CAS Name: 3-methoxy-N-phenylaniline
IUPAC NAME: 3-methoxy-N-phenylaniline
SYSTEMATIC NAME: 3-methoxy-N-phenyl-aniline
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: COC1=CC=CC(=C1)NC2=CC=CC=C2
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Product OPENEYE NAME: 3-chloro-N-phenyl-aniline
CAS Name: 3-chloro-N-phenylaniline
IUPAC NAME: 3-chloro-N-phenylaniline
SYSTEMATIC NAME: 3-chloranyl-N-phenyl-aniline
MOLECULAR FORMULA: C12H10ClN
MOLECULAR WEIGHT: 203.6675
SMILES: C1=CC=C(C=C1)NC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 3-anilinophenol
CAS Name: 3-anilinophenol
IUPAC NAME: 3-anilinophenol
SYSTEMATIC NAME: 3-phenylazanylphenol
MOLECULAR FORMULA: C12H11NO
MOLECULAR WEIGHT: 185.22184
SMILES: C1=CC=C(C=C1)NC2=CC(=CC=C2)O
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Product OPENEYE NAME: 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CAS Name: 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
IUPAC NAME: 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
SYSTEMATIC NAME: 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea
MOLECULAR FORMULA: C13H9Cl3N2O
MOLECULAR WEIGHT: 315.58236
SMILES: C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl
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Product OPENEYE NAME: N-phenyl-3-(trifluoromethyl)aniline
CAS Name: N-phenyl-3-(trifluoromethyl)aniline
IUPAC NAME: N-phenyl-3-(trifluoromethyl)aniline
SYSTEMATIC NAME: N-phenyl-3-(trifluoromethyl)aniline
MOLECULAR FORMULA: C13H10F3N
MOLECULAR WEIGHT: 237.22041
SMILES: C1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F
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Product OPENEYE NAME: 3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane
CAS Name: 3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane
IUPAC NAME: 3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 3,7-dinitroso-1,3,5,7-tetrazabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C5H10N6O2
MOLECULAR WEIGHT: 186.1719
SMILES: C1N2CN(CN1CN(C2)N=O)N=O
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