Product OPENEYE NAME: 2-octylphenol
CAS Name: 2-octylphenol
IUPAC NAME: 2-octylphenol
SYSTEMATIC NAME: 2-octylphenol
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CCCCCCCCC1=CC=CC=C1O
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Product OPENEYE NAME: [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]-isopropyl-ammonium chloride
CAS Name: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylammonium chloride
IUPAC NAME: [2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-propan-2-ylazanium chloride
SYSTEMATIC NAME: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]-propan-2-yl-azanium chloride
MOLECULAR FORMULA: C11H18ClNO3
MOLECULAR WEIGHT: 247.71852
SMILES: CC(C)[NH2+]CC(C1=CC(=C(C=C1)O)O)O.[Cl-]
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Product OPENEYE NAME: 1-benzyloxy-3-chloro-benzene
CAS Name: 1-chloro-3-phenylmethoxybenzene
IUPAC NAME: 1-chloro-3-phenylmethoxybenzene
SYSTEMATIC NAME: 1-chloranyl-3-phenylmethoxy-benzene
MOLECULAR FORMULA: C13H11ClO
MOLECULAR WEIGHT: 218.67884
SMILES: C1=CC=C(C=C1)COC2=CC(=CC=C2)Cl
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Product OPENEYE NAME: 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
CAS Name: 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-methyl-4,6-bis(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C6H3Cl6N3
MOLECULAR WEIGHT: 329.82612
SMILES: CC1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
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Product OPENEYE NAME: 2-allyloxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine
CAS Name: 2-methyl-4-prop-2-enoxy-6-(trichloromethyl)-1,3,5-triazine
IUPAC NAME: 2-methyl-4-prop-2-enoxy-6-(trichloromethyl)-1,3,5-triazine
SYSTEMATIC NAME: 2-methyl-4-prop-2-enoxy-6-(trichloromethyl)-1,3,5-triazine
MOLECULAR FORMULA: C8H8Cl3N3O
MOLECULAR WEIGHT: 268.52762
SMILES: CC1=NC(=NC(=N1)OCC=C)C(Cl)(Cl)Cl
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Product OPENEYE NAME: phenyl(p-tolyl)diazene
CAS Name: (4-methylphenyl)-phenyldiazene
IUPAC NAME: (4-methylphenyl)-phenyldiazene
SYSTEMATIC NAME: (4-methylphenyl)-phenyl-diazene
MOLECULAR FORMULA: C13H12N2
MOLECULAR WEIGHT: 196.24778
SMILES: CC1=CC=C(C=C1)N=NC2=CC=CC=C2
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Product OPENEYE NAME: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid
CAS Name: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid
IUPAC NAME: (2S)-2-amino-3-(4-nitrophenyl)propanoic acid
SYSTEMATIC NAME: (2S)-2-azanyl-3-(4-nitrophenyl)propanoic acid
MOLECULAR FORMULA: C9H10N2O4
MOLECULAR WEIGHT: 210.1867
SMILES: C1=CC(=CC=C1C[C@@H](C(=O)O)N)[N+](=O)[O-]
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Product OPENEYE NAME: N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine
CAS Name: N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine
IUPAC NAME: N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine
SYSTEMATIC NAME: N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine
MOLECULAR FORMULA: C8H16NO3PS2
MOLECULAR WEIGHT: 269.321301
SMILES: CCOP(=O)(N=C1SCC(S1)C)OCC
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Product OPENEYE NAME: dimethyl (4-nitrophenyl) phosphate
CAS Name: phosphoric acid dimethyl (4-nitrophenyl) ester
IUPAC NAME: dimethyl (4-nitrophenyl) phosphate
SYSTEMATIC NAME: dimethyl (4-nitrophenyl) phosphate
MOLECULAR FORMULA: C8H10NO6P
MOLECULAR WEIGHT: 247.141861
SMILES: COP(=O)(OC)OC1=CC=C(C=C1)[N+](=O)[O-]
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Product OPENEYE NAME: 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one
CAS Name: 3-[(dimethoxyphosphinothioylthio)methyl]-5-methoxy-1,3,4-thiadiazol-2-one
IUPAC NAME: 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one
SYSTEMATIC NAME: 3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one
MOLECULAR FORMULA: C6H11N2O4PS3
MOLECULAR WEIGHT: 302.331301
SMILES: COC1=NN(C(=O)S1)CSP(=S)(OC)OC
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Product OPENEYE NAME: 3-methoxydibenzofuran-2-amine
CAS Name: 3-methoxy-2-dibenzofuranamine
IUPAC NAME: 3-methoxydibenzofuran-2-amine
SYSTEMATIC NAME: 3-methoxydibenzofuran-2-amine
MOLECULAR FORMULA: C13H11NO2
MOLECULAR WEIGHT: 213.23194
SMILES: COC1=C(C=C2C3=CC=CC=C3OC2=C1)N
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Product OPENEYE NAME: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
CAS Name: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone
IUPAC NAME: 4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SYSTEMATIC NAME: 4-azanyl-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one
MOLECULAR FORMULA: C9H13N3O4
MOLECULAR WEIGHT: 227.21722
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
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Product OPENEYE NAME: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CAS Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
IUPAC NAME: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O5
MOLECULAR WEIGHT: 228.20198
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
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Product OPENEYE NAME: acridine-3,9-diamine
CAS Name: acridine-3,9-diamine
IUPAC NAME: acridine-3,9-diamine
SYSTEMATIC NAME: acridine-3,9-diamine
MOLECULAR FORMULA: C13H11N3
MOLECULAR WEIGHT: 209.24654
SMILES: C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)N
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Product OPENEYE NAME: (1,2-dichloro-2-phenyl-vinyl)benzene
CAS Name: (1,2-dichloro-2-phenylethenyl)benzene
IUPAC NAME: (1,2-dichloro-2-phenylethenyl)benzene
SYSTEMATIC NAME: [1,2-bis(chloranyl)-2-phenyl-ethenyl]benzene
MOLECULAR FORMULA: C14H10Cl2
MOLECULAR WEIGHT: 249.1352
SMILES: C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)Cl
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Product OPENEYE NAME: (6-aminoacridin-3-yl)ammonium chloride
CAS Name: (6-amino-3-acridinyl)ammonium chloride
IUPAC NAME: (6-aminoacridin-3-yl)azanium chloride
SYSTEMATIC NAME: (6-azanylacridin-3-yl)azanium chloride
MOLECULAR FORMULA: C13H12ClN3
MOLECULAR WEIGHT: 245.70748
SMILES: C1=CC(=CC2=NC3=C(C=CC(=C3)[NH3+])C=C21)N.[Cl-]
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Product OPENEYE NAME: dimethyl-[2-(3-phenylisoxazol-5-yl)ethyl]ammonium chloride
CAS Name: dimethyl-[2-(3-phenyl-5-isoxazolyl)ethyl]ammonium chloride
IUPAC NAME: dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride
SYSTEMATIC NAME: dimethyl-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]azanium chloride
MOLECULAR FORMULA: C13H17ClN2O
MOLECULAR WEIGHT: 252.73988
SMILES: C[NH+](C)CCC1=CC(=NO1)C2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: N,N-dimethyl-2-(3-phenylisoxazol-5-yl)ethanamine
CAS Name: N,N-dimethyl-2-(3-phenyl-5-isoxazolyl)ethanamine
IUPAC NAME: N,N-dimethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-(3-phenyl-1,2-oxazol-5-yl)ethanamine
MOLECULAR FORMULA: C13H16N2O
MOLECULAR WEIGHT: 216.27894
SMILES: CN(C)CCC1=CC(=NO1)C2=CC=CC=C2
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