Product OPENEYE NAME: 2-(2,3,4,5,6-pentachlorophenoxy)acetic acid
CAS Name: 2-(2,3,4,5,6-pentachlorophenoxy)acetic acid
IUPAC NAME: 2-(2,3,4,5,6-pentachlorophenoxy)acetic acid
SYSTEMATIC NAME: 2-[2,3,4,5,6-pentakis(chloranyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C8H3Cl5O3
MOLECULAR WEIGHT: 324.37262
SMILES: C(C(=O)O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
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Product OPENEYE NAME: 4-(2,4,6-triaminopyrimidin-5-yl)azobenzoic acid
CAS Name: 4-[(2,4,6-triamino-5-pyrimidinyl)azo]benzoic acid
IUPAC NAME: 4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoic acid
SYSTEMATIC NAME: 4-[[2,4,6-tris(azanyl)pyrimidin-5-yl]diazenyl]benzoic acid
MOLECULAR FORMULA: C11H11N7O2
MOLECULAR WEIGHT: 273.25074
SMILES: C1=CC(=CC=C1C(=O)O)N=NC2=C(N=C(N=C2N)N)N
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Product OPENEYE NAME: N-isopropyl-7H-benzo[d][1,3]benzodiazepin-6-amine
CAS Name: N-propan-2-yl-7H-benzo[d][1,3]benzodiazepin-6-amine
IUPAC NAME: N-propan-2-yl-7H-benzo[d][1,3]benzodiazepin-6-amine
SYSTEMATIC NAME: N-propan-2-yl-7H-benzo[d][1,3]benzodiazepin-6-amine
MOLECULAR FORMULA: C16H17N3
MOLECULAR WEIGHT: 251.32628
SMILES: CC(C)NC1=NC2=CC=CC=C2C3=CC=CC=C3N1
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Product OPENEYE NAME: 7H-benzo[d][1,3]benzodiazepin-6-yl(diethyl)ammonium chloride
CAS Name: 7H-benzo[d][1,3]benzodiazepin-6-yl(diethyl)ammonium chloride
IUPAC NAME: 7H-benzo[d][1,3]benzodiazepin-6-yl(diethyl)azanium chloride
SYSTEMATIC NAME: 7H-benzo[d][1,3]benzodiazepin-6-yl(diethyl)azanium chloride
MOLECULAR FORMULA: C17H20ClN3
MOLECULAR WEIGHT: 301.8138
SMILES: CC[NH+](CC)C1=NC2=CC=CC=C2C3=CC=CC=C3N1.[Cl-]
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Product OPENEYE NAME: N,N-diethyl-7H-benzo[d][1,3]benzodiazepin-6-amine
CAS Name: N,N-diethyl-7H-benzo[d][1,3]benzodiazepin-6-amine
IUPAC NAME: N,N-diethyl-7H-benzo[d][1,3]benzodiazepin-6-amine
SYSTEMATIC NAME: N,N-diethyl-7H-benzo[d][1,3]benzodiazepin-6-amine
MOLECULAR FORMULA: C17H19N3
MOLECULAR WEIGHT: 265.35286
SMILES: CCN(CC)C1=NC2=CC=CC=C2C3=CC=CC=C3N1
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Product OPENEYE NAME: 9-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
CAS Name: 9-[[(2S)-3,3-dimethyl-2-oxiranyl]methoxy]-7-furo[3,2-g][1]benzopyranone
IUPAC NAME: 9-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
SYSTEMATIC NAME: 9-[[(2S)-3,3-dimethyloxiran-2-yl]methoxy]furo[3,2-g]chromen-7-one
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: CC1([C@@H](O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C
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Product OPENEYE NAME: 2-methoxy-3-methyl-pyrazine
CAS Name: 2-methoxy-3-methylpyrazine
IUPAC NAME: 2-methoxy-3-methylpyrazine
SYSTEMATIC NAME: 2-methoxy-3-methyl-pyrazine
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: CC1=NC=CN=C1OC
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Product OPENEYE NAME: 3-methylpentadecane
CAS Name: 3-methylpentadecane
IUPAC NAME: 3-methylpentadecane
SYSTEMATIC NAME: 3-methylpentadecane
MOLECULAR FORMULA: C16H34
MOLECULAR WEIGHT: 226.44116
SMILES: CCCCCCCCCCCCC(C)CC
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Product OPENEYE NAME: nonylcyclohexane
CAS Name: nonylcyclohexane
IUPAC NAME: nonylcyclohexane
SYSTEMATIC NAME: nonylcyclohexane
MOLECULAR FORMULA: C15H30
MOLECULAR WEIGHT: 210.3987
SMILES: CCCCCCCCCC1CCCCC1
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Product OPENEYE NAME: 1-methylheptylcyclohexane
CAS Name: octan-2-ylcyclohexane
IUPAC NAME: octan-2-ylcyclohexane
SYSTEMATIC NAME: octan-2-ylcyclohexane
MOLECULAR FORMULA: C14H28
MOLECULAR WEIGHT: 196.37212
SMILES: CCCCCCC(C)C1CCCCC1
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Product OPENEYE NAME: hepta-1,6-dien-4-ol
CAS Name: 4-hepta-1,6-dienol
IUPAC NAME: hepta-1,6-dien-4-ol
SYSTEMATIC NAME: hepta-1,6-dien-4-ol
MOLECULAR FORMULA: C7H12O
MOLECULAR WEIGHT: 112.16958
SMILES: C=CCC(CC=C)O
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Product OPENEYE NAME: 1,2,4-trimethoxy-5-prop-1-enyl-benzene
CAS Name: 1,2,4-trimethoxy-5-prop-1-enylbenzene
IUPAC NAME: 1,2,4-trimethoxy-5-prop-1-enylbenzene
SYSTEMATIC NAME: 1,2,4-trimethoxy-5-prop-1-enyl-benzene
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC=CC1=CC(=C(C=C1OC)OC)OC
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-3-methyl-pyrrolidin-2-one
CAS Name: 1-(3-chloro-4-methylphenyl)-3-methyl-2-pyrrolidinone
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-3-methylpyrrolidin-2-one
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-methyl-pyrrolidin-2-one
MOLECULAR FORMULA: C12H14ClNO
MOLECULAR WEIGHT: 223.69866
SMILES: CC1CCN(C1=O)C2=CC(=C(C=C2)C)Cl
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Product OPENEYE NAME: octadecane-1-thiol
CAS Name: 1-octadecanethiol
IUPAC NAME: octadecane-1-thiol
SYSTEMATIC NAME: octadecane-1-thiol
MOLECULAR FORMULA: C18H38S
MOLECULAR WEIGHT: 286.55932
SMILES: CCCCCCCCCCCCCCCCCCS
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Product OPENEYE NAME: (1-methylpiperidin-1-ium-4-yl)methyl 2-methoxy-2,2-diphenyl-acetate chloride
CAS Name: 2-methoxy-2,2-diphenylacetic acid (1-methyl-4-piperidin-1-iumyl)methyl ester chloride
IUPAC NAME: (1-methylpiperidin-1-ium-4-yl)methyl 2-methoxy-2,2-diphenylacetate chloride
SYSTEMATIC NAME: (1-methylpiperidin-1-ium-4-yl)methyl 2-methoxy-2,2-diphenyl-ethanoate chloride
MOLECULAR FORMULA: C22H28ClNO3
MOLECULAR WEIGHT: 389.91562
SMILES: C[NH+]1CCC(CC1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC.[Cl-]
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Product OPENEYE NAME: (1-methyl-4-piperidyl)methyl 2-methoxy-2,2-diphenyl-acetate
CAS Name: 2-methoxy-2,2-diphenylacetic acid (1-methyl-4-piperidinyl)methyl ester
IUPAC NAME: (1-methylpiperidin-4-yl)methyl 2-methoxy-2,2-diphenylacetate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl)methyl 2-methoxy-2,2-diphenyl-ethanoate
MOLECULAR FORMULA: C22H27NO3
MOLECULAR WEIGHT: 353.45468
SMILES: CN1CCC(CC1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC
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Product OPENEYE NAME: 3-chlorobenzenesulfonyl chloride
CAS Name: 3-chlorobenzenesulfonyl chloride
IUPAC NAME: 3-chlorobenzenesulfonyl chloride
SYSTEMATIC NAME: 3-chloranylbenzenesulfonyl chloride
MOLECULAR FORMULA: C6H4Cl2O2S
MOLECULAR WEIGHT: 211.06576
SMILES: C1=CC(=CC(=C1)Cl)S(=O)(=O)Cl
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Product OPENEYE NAME: 1-(1-isocyanato-1-methyl-ethyl)-4-isopropenyl-benzene
CAS Name: 1-(2-isocyanatopropan-2-yl)-4-(1-methylethenyl)benzene
IUPAC NAME: 1-(2-isocyanatopropan-2-yl)-4-prop-1-en-2-ylbenzene
SYSTEMATIC NAME: 1-(2-isocyanatopropan-2-yl)-4-prop-1-en-2-yl-benzene
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: CC(=C)C1=CC=C(C=C1)C(C)(C)N=C=O
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Product OPENEYE NAME: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
CAS Name: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
IUPAC NAME: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
SYSTEMATIC NAME: 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
MOLECULAR FORMULA: C16H13F3N2
MOLECULAR WEIGHT: 290.28303
SMILES: C1CN=C(C2=C(N1)C=CC(=C2)C(F)(F)F)C3=CC=CC=C3
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Product OPENEYE NAME: 3,4-dihydroxycyclobut-3-ene-1,2-dione
CAS Name: 3,4-dihydroxycyclobut-3-ene-1,2-dione
IUPAC NAME: 3,4-dihydroxycyclobut-3-ene-1,2-dione
SYSTEMATIC NAME: 3,4-bis(oxidanyl)cyclobut-3-ene-1,2-dione
MOLECULAR FORMULA: C4H2O4
MOLECULAR WEIGHT: 114.05628
SMILES: C1(=C(C(=O)C1=O)O)O
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