Sunday, August 4, 2013

All Chemical Compounds Information




Product OPENEYE NAME: ethyl N-isopropenylcarbamate
CAS Name: N-(1-methylethenyl)carbamic acid ethyl ester
IUPAC NAME: ethyl N-prop-1-en-2-ylcarbamate
SYSTEMATIC NAME: ethyl N-prop-1-en-2-ylcarbamate
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CCOC(=O)NC(=C)C
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Product OPENEYE NAME: magnesium; ethanolate; prop-1-ene; bromide
CAS Name: magnesium; ethanolate; 1-propene; bromide
IUPAC NAME: magnesium; ethanolate; prop-1-ene; bromide
SYSTEMATIC NAME: magnesium; ethanolate; prop-1-ene; bromide
MOLECULAR FORMULA: C5H10BrMgO-
MOLECULAR WEIGHT: 190.3413
SMILES: CC[O-].CC=[CH-].[Mg+2].[Br-]
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Product OPENEYE NAME: ethyl 2-(difluoromethyl)-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoate
CAS Name: 2-(difluoromethyl)-2-[(2,2,2-trifluoro-1-oxoethyl)amino]-4-pentenoic acid ethyl ester
IUPAC NAME: ethyl 2-(difluoromethyl)-2-[(2,2,2-trifluoroacetyl)amino]pent-4-enoate
SYSTEMATIC NAME: ethyl 2-[bis(fluoranyl)methyl]-2-[2,2,2-tris(fluoranyl)ethanoylamino]pent-4-enoate
MOLECULAR FORMULA: C10H12F5NO3
MOLECULAR WEIGHT: 289.199196
SMILES: CCOC(=O)C(CC=C)(C(F)F)NC(=O)C(F)(F)F
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Product OPENEYE NAME: (E)-5-ethoxy-1-fluoro-pent-3-en-2-amine
CAS Name: (E)-5-ethoxy-1-fluoro-3-penten-2-amine
IUPAC NAME: (E)-5-ethoxy-1-fluoropent-3-en-2-amine
SYSTEMATIC NAME: (E)-5-ethoxy-1-fluoranyl-pent-3-en-2-amine
MOLECULAR FORMULA: C7H14FNO
MOLECULAR WEIGHT: 147.190563
SMILES: CCOC/C=C/C(CF)N
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Product OPENEYE NAME: O1-tert-butyl O3-ethyl 2-(difluoromethyl)-2-[(E)-3-(1,3-dioxoisoindolin-2-yl)prop-1-enyl]propanedioate
CAS Name: 2-(difluoromethyl)-2-[(E)-3-(1,3-dioxo-2-isoindolyl)prop-1-enyl]propanedioic acid O3-tert-butyl ester O1-ethyl ester
IUPAC NAME: 3-O-tert-butyl 1-O-ethyl 2-(difluoromethyl)-2-[(E)-3-(1,3-dioxoisoindol-2-yl)prop-1-enyl]propanedioate
SYSTEMATIC NAME: O3-tert-butyl O1-ethyl 2-[bis(fluoranyl)methyl]-2-[(E)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]prop-1-enyl]propanedioate
MOLECULAR FORMULA: C21H23F2NO6
MOLECULAR WEIGHT: 423.407226
SMILES: CCOC(=O)C(/C=C/CN1C(=O)C2=CC=CC=C2C1=O)(C(F)F)C(=O)OC(C)(C)C
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Product OPENEYE NAME: (E)-5-fluoropent-2-ene
CAS Name: (E)-5-fluoro-2-pentene
IUPAC NAME: (E)-5-fluoropent-2-ene
SYSTEMATIC NAME: (E)-5-fluoranylpent-2-ene
MOLECULAR FORMULA: C5H9F
MOLECULAR WEIGHT: 88.123363
SMILES: C/C=C/CCF
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Product OPENEYE NAME: O1-tert-butyl O3-ethyl 2-allyl-2-(difluoromethyl)propanedioate
CAS Name: 2-(difluoromethyl)-2-prop-2-enylpropanedioic acid O3-tert-butyl ester O1-ethyl ester
IUPAC NAME: 3-O-tert-butyl 1-O-ethyl 2-(difluoromethyl)-2-prop-2-enylpropanedioate
SYSTEMATIC NAME: O3-tert-butyl O1-ethyl 2-[bis(fluoranyl)methyl]-2-prop-2-enyl-propanedioate
MOLECULAR FORMULA: C13H20F2O4
MOLECULAR WEIGHT: 278.292306
SMILES: CCOC(=O)C(CC=C)(C(F)F)C(=O)OC(C)(C)C
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Product OPENEYE NAME: diethyl 2-(difluoromethyl)-2-[(E)-prop-1-enyl]propanedioate
CAS Name: 2-(difluoromethyl)-2-[(E)-prop-1-enyl]propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-(difluoromethyl)-2-[(E)-prop-1-enyl]propanedioate
SYSTEMATIC NAME: diethyl 2-[bis(fluoranyl)methyl]-2-[(E)-prop-1-enyl]propanedioate
MOLECULAR FORMULA: C11H16F2O4
MOLECULAR WEIGHT: 250.239146
SMILES: CCOC(=O)C(/C=C/C)(C(F)F)C(=O)OCC
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Product OPENEYE NAME: diethyl 2-[(E)-3-bromoprop-1-enyl]-2-(difluoromethyl)propanedioate
CAS Name: 2-[(E)-3-bromoprop-1-enyl]-2-(difluoromethyl)propanedioic acid diethyl ester
IUPAC NAME: diethyl 2-[(E)-3-bromoprop-1-enyl]-2-(difluoromethyl)propanedioate
SYSTEMATIC NAME: diethyl 2-[bis(fluoranyl)methyl]-2-[(E)-3-bromanylprop-1-enyl]propanedioate
MOLECULAR FORMULA: C11H15BrF2O4
MOLECULAR WEIGHT: 329.135206
SMILES: CCOC(=O)C(/C=C/CBr)(C(F)F)C(=O)OCC
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Product OPENEYE NAME: N-[(E)-1-cyano-1-(fluoromethyl)but-2-enyl]-2,2,2-trifluoro-acetamide
CAS Name: N-[(E)-2-cyano-1-fluoropent-3-en-2-yl]-2,2,2-trifluoroacetamide
IUPAC NAME: N-[(E)-2-cyano-1-fluoropent-3-en-2-yl]-2,2,2-trifluoroacetamide
SYSTEMATIC NAME: N-[(E)-2-cyano-1-fluoranyl-pent-3-en-2-yl]-2,2,2-tris(fluoranyl)ethanamide
MOLECULAR FORMULA: C8H8F4N2O
MOLECULAR WEIGHT: 224.155533
SMILES: C/C=C/C(CF)(C#N)NC(=O)C(F)(F)F
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Product OPENEYE NAME: ditert-butyl (3E)-2-[amino(fluoro)methyl]-3-ethylidene-butanedioate
CAS Name: (3E)-2-[amino(fluoro)methyl]-3-ethylidenebutanedioic acid ditert-butyl ester
IUPAC NAME: ditert-butyl (3E)-2-[amino(fluoro)methyl]-3-ethylidenebutanedioate
SYSTEMATIC NAME: ditert-butyl (3E)-2-[azanyl(fluoranyl)methyl]-3-ethylidene-butanedioate
MOLECULAR FORMULA: C15H26FNO4
MOLECULAR WEIGHT: 303.369643
SMILES: C/C=C(\C(C(N)F)C(=O)OC(C)(C)C)/C(=O)OC(C)(C)C
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Product OPENEYE NAME: (E)-2,5-diamino-2-(difluoromethyl)pent-3-enoic acid
CAS Name: (E)-2,5-diamino-2-(difluoromethyl)-3-pentenoic acid
IUPAC NAME: (E)-2,5-diamino-2-(difluoromethyl)pent-3-enoic acid
SYSTEMATIC NAME: (E)-2,5-bis(azanyl)-2-[bis(fluoranyl)methyl]pent-3-enoic acid
MOLECULAR FORMULA: C6H10F2N2O2
MOLECULAR WEIGHT: 180.152606
SMILES: C(/C=C/C(C(F)F)(C(=O)O)N)N
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