Product OPENEYE NAME: 1,5-bis(2-furyl)penta-1,4-dien-3-one
CAS Name: 1,5-bis(2-furanyl)-3-penta-1,4-dienone
IUPAC NAME: 1,5-bis(furan-2-yl)penta-1,4-dien-3-one
SYSTEMATIC NAME: 1,5-bis(furan-2-yl)penta-1,4-dien-3-one
MOLECULAR FORMULA: C13H10O3
MOLECULAR WEIGHT: 214.2167
SMILES: C1=COC(=C1)C=CC(=O)C=CC2=CC=CO2
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Product OPENEYE NAME: (3-ethoxycarbonylphenyl)ammonium; methanesulfonate
CAS Name: (3-ethoxycarbonylphenyl)ammonium; methanesulfonate
IUPAC NAME: (3-ethoxycarbonylphenyl)azanium; methanesulfonate
SYSTEMATIC NAME: (3-ethoxycarbonylphenyl)azanium; methanesulfonate
MOLECULAR FORMULA: C10H15NO5S
MOLECULAR WEIGHT: 261.2948
SMILES: CCOC(=O)C1=CC(=CC=C1)[NH3+].CS(=O)(=O)[O-]
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Product OPENEYE NAME: 2,3,5,6-tetrachloro-4-methoxycarbonyl-benzoic acid
CAS Name: 2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid
IUPAC NAME: 2,3,5,6-tetrachloro-4-methoxycarbonylbenzoic acid
SYSTEMATIC NAME: 2,3,5,6-tetrakis(chloranyl)-4-methoxycarbonyl-benzoic acid
MOLECULAR FORMULA: C9H4Cl4O4
MOLECULAR WEIGHT: 317.93766
SMILES: COC(=O)C1=C(C(=C(C(=C1Cl)Cl)C(=O)O)Cl)Cl
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Product OPENEYE NAME: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbut-2-enoate
CAS Name: 2-methyl-2-butenoic acid [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] ester
IUPAC NAME: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbut-2-enoate
SYSTEMATIC NAME: [7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 2-methylbut-2-enoate
MOLECULAR FORMULA: C13H19NO3
MOLECULAR WEIGHT: 237.29486
SMILES: CC=C(C)C(=O)OC1CCN2C1C(=CC2)CO
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Product OPENEYE NAME: 1-(4-fluorophenyl)sulfonyl-3-sec-butyl-urea
CAS Name: 1-butan-2-yl-3-(4-fluorophenyl)sulfonylurea
IUPAC NAME: 1-butan-2-yl-3-(4-fluorophenyl)sulfonylurea
SYSTEMATIC NAME: 1-butan-2-yl-3-(4-fluorophenyl)sulfonyl-urea
MOLECULAR FORMULA: C11H15FN2O3S
MOLECULAR WEIGHT: 274.311803
SMILES: CCC(C)NC(=O)NS(=O)(=O)C1=CC=C(C=C1)F
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Product OPENEYE NAME: 1-cyclohexyl-5-propyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-cyclohexyl-5-propyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C13H20N2O3
MOLECULAR WEIGHT: 252.3095
SMILES: CCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
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Product OPENEYE NAME: 5-allyl-1-cyclohexyl-hexahydropyrimidine-2,4,6-trione
CAS Name: 1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
IUPAC NAME: 1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-cyclohexyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C13H18N2O3
MOLECULAR WEIGHT: 250.29362
SMILES: C=CCC1C(=O)NC(=O)N(C1=O)C2CCCCC2
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Product OPENEYE NAME: benzyl 2-hydroxy-2-phenyl-acetate
CAS Name: 2-hydroxy-2-phenylacetic acid (phenylmethyl) ester
IUPAC NAME: benzyl 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: (phenylmethyl) 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
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Product OPENEYE NAME: 3-nitrofluoranthene
CAS Name: 3-nitrofluoranthene
IUPAC NAME: 3-nitrofluoranthene
SYSTEMATIC NAME: 3-nitrofluoranthene
MOLECULAR FORMULA: C16H9NO2
MOLECULAR WEIGHT: 247.24816
SMILES: C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)[N+](=O)[O-]
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Product OPENEYE NAME: 2-(6-aminopurin-9-yl)-5-(chloromethyl)tetrahydrofuran-3,4-diol
CAS Name: 2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
IUPAC NAME: 2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-aminopurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C10H12ClN5O3
MOLECULAR WEIGHT: 285.68698
SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CCl)O)O
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Product OPENEYE NAME: 4,4-diphenylbut-3-enyl(dimethyl)ammonium chloride
CAS Name: 4,4-diphenylbut-3-enyl(dimethyl)ammonium chloride
IUPAC NAME: 4,4-diphenylbut-3-enyl(dimethyl)azanium chloride
SYSTEMATIC NAME: 4,4-diphenylbut-3-enyl(dimethyl)azanium chloride
MOLECULAR FORMULA: C18H22ClN
MOLECULAR WEIGHT: 287.82698
SMILES: C[NH+](C)CCC=C(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]
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Product OPENEYE NAME: N,N-dimethyl-4,4-diphenyl-but-3-en-1-amine
CAS Name: N,N-dimethyl-4,4-diphenyl-3-buten-1-amine
IUPAC NAME: N,N-dimethyl-4,4-diphenylbut-3-en-1-amine
SYSTEMATIC NAME: N,N-dimethyl-4,4-diphenyl-but-3-en-1-amine
MOLECULAR FORMULA: C18H21N
MOLECULAR WEIGHT: 251.36604
SMILES: CN(C)CCC=C(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: 2-[2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethyl]guanidine sulfate
CAS Name: 2-[2-(2,2,6,6-tetramethyl-1-piperidin-1-iumyl)ethyl]guanidine sulfate
IUPAC NAME: 2-[2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethyl]guanidine sulfate
SYSTEMATIC NAME: 2-[2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethyl]guanidine sulfate
MOLECULAR FORMULA: C24H54N8O4S
MOLECULAR WEIGHT: 550.80176
SMILES: CC1(CCCC([NH+]1CCN=C(N)N)(C)C)C.CC1(CCCC([NH+]1CCN=C(N)N)(C)C)C.[O-]S(=O)(=O)[O-]
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Product OPENEYE NAME: 2-[2-(2,2,6,6-tetramethyl-1-piperidyl)ethyl]guanidine
CAS Name: 2-[2-(2,2,6,6-tetramethyl-1-piperidinyl)ethyl]guanidine
IUPAC NAME: 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine
SYSTEMATIC NAME: 2-[2-(2,2,6,6-tetramethylpiperidin-1-yl)ethyl]guanidine
MOLECULAR FORMULA: C12H26N4
MOLECULAR WEIGHT: 226.36164
SMILES: CC1(CCCC(N1CCN=C(N)N)(C)C)C
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H22ClN
MOLECULAR WEIGHT: 299.83768
SMILES: C[NH2+]CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.[Cl-]
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Product OPENEYE NAME: 4-(3-chlorophenyl)-N,N-dimethyl-4-phenyl-but-3-en-1-amine
CAS Name: 4-(3-chlorophenyl)-N,N-dimethyl-4-phenyl-3-buten-1-amine
IUPAC NAME: 4-(3-chlorophenyl)-N,N-dimethyl-4-phenylbut-3-en-1-amine
SYSTEMATIC NAME: 4-(3-chlorophenyl)-N,N-dimethyl-4-phenyl-but-3-en-1-amine
MOLECULAR FORMULA: C18H20ClN
MOLECULAR WEIGHT: 285.8111
SMILES: CN(C)CCC=C(C1=CC=CC=C1)C2=CC(=CC=C2)Cl
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Product OPENEYE NAME: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CAS Name: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
IUPAC NAME: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
SYSTEMATIC NAME: (8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
MOLECULAR FORMULA: C20H28O
MOLECULAR WEIGHT: 284.43572
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCCC4
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Product OPENEYE NAME: (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
CAS Name: (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
IUPAC NAME: (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
SYSTEMATIC NAME: (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
MOLECULAR FORMULA: C19H24O2
MOLECULAR WEIGHT: 284.39266
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)C=C[C@]34C
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