Saturday, April 27, 2013

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H14
MOLECULAR WEIGHT: 266.33586
SMILES: C1C2=C(C3=CC=CC=C3C=C2)C4=C1C=CC5=CC=CC=C54
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Product OPENEYE NAME: 5-chlorosulfonylbenzene-1,3-dicarbonyl chloride
CAS Name: 5-chlorosulfonylbenzene-1,3-dicarbonyl chloride
IUPAC NAME: 5-chlorosulfonylbenzene-1,3-dicarbonyl chloride
SYSTEMATIC NAME: 5-chloranylsulfonylbenzene-1,3-dicarbonyl chloride
MOLECULAR FORMULA: C8H3Cl3O4S
MOLECULAR WEIGHT: 301.53102
SMILES: C1=C(C=C(C=C1C(=O)Cl)S(=O)(=O)Cl)C(=O)Cl
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Product OPENEYE NAME: (2-amino-2-carboxy-ethyl)sulfanyl-methyl-mercury
CAS Name: [(2-amino-2-carboxyethyl)thio]-methylmercury
IUPAC NAME: (2-amino-2-carboxyethyl)sulfanyl-methylmercury
SYSTEMATIC NAME: (2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-methyl-mercury
MOLECULAR FORMULA: C4H9HgNO2S
MOLECULAR WEIGHT: 335.77476
SMILES: C[Hg]SCC(C(=O)O)N
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Product OPENEYE NAME: 2-tert-butylsulfanyl-N,N-diethyl-acetamide
CAS Name: 2-(tert-butylthio)-N,N-diethylacetamide
IUPAC NAME: 2-tert-butylsulfanyl-N,N-diethylacetamide
SYSTEMATIC NAME: 2-tert-butylsulfanyl-N,N-diethyl-ethanamide
MOLECULAR FORMULA: C10H21NOS
MOLECULAR WEIGHT: 203.34484
SMILES: CCN(CC)C(=O)CSC(C)(C)C
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Product OPENEYE NAME: 2-tert-butylsulfanyl-1-(1-piperidyl)ethanone
CAS Name: 2-(tert-butylthio)-1-(1-piperidinyl)ethanone
IUPAC NAME: 2-tert-butylsulfanyl-1-piperidin-1-ylethanone
SYSTEMATIC NAME: 2-tert-butylsulfanyl-1-piperidin-1-yl-ethanone
MOLECULAR FORMULA: C11H21NOS
MOLECULAR WEIGHT: 215.35554
SMILES: CC(C)(C)SCC(=O)N1CCCCC1
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Product OPENEYE NAME: 2,3-bis[8-(3-octyloxiran-2-yl)octanoyloxy]propyl 8-(3-octyloxiran-2-yl)octanoate
CAS Name: 8-(3-octyl-2-oxiranyl)octanoic acid 2,3-bis[8-(3-octyl-2-oxiranyl)-1-oxooctoxy]propyl ester
IUPAC NAME: 2,3-bis[8-(3-octyloxiran-2-yl)octanoyloxy]propyl 8-(3-octyloxiran-2-yl)octanoate
SYSTEMATIC NAME: 2,3-bis[8-(3-octyloxiran-2-yl)octanoyloxy]propyl 8-(3-octyloxiran-2-yl)octanoate
MOLECULAR FORMULA: C57H104O9
MOLECULAR WEIGHT: 933.43026
SMILES: CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC2C(O2)CCCCCCCC)OC(=O)CCCCCCCC3C(O3)CCCCCCCC
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Product OPENEYE NAME: [2-[bis(hydroxymethyl)amino]ethylamino]methanol
CAS Name: [2-[bis(hydroxymethyl)amino]ethylamino]methanol
IUPAC NAME: [2-[bis(hydroxymethyl)amino]ethylamino]methanol
SYSTEMATIC NAME: [2-[bis(hydroxymethyl)amino]ethylamino]methanol
MOLECULAR FORMULA: C5H14N2O3
MOLECULAR WEIGHT: 150.17626
SMILES: C(CN(CO)CO)NCO
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Product OPENEYE NAME: 2-(2,6-dibromophenoxy)acetic acid
CAS Name: 2-(2,6-dibromophenoxy)acetic acid
IUPAC NAME: 2-(2,6-dibromophenoxy)acetic acid
SYSTEMATIC NAME: 2-[2,6-bis(bromanyl)phenoxy]ethanoic acid
MOLECULAR FORMULA: C8H6Br2O3
MOLECULAR WEIGHT: 309.93944
SMILES: C1=CC(=C(C(=C1)Br)OCC(=O)O)Br
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Product OPENEYE NAME: 4-phenoxybenzene-1,3-diol
CAS Name: 4-phenoxybenzene-1,3-diol
IUPAC NAME: 4-phenoxybenzene-1,3-diol
SYSTEMATIC NAME: 4-phenoxybenzene-1,3-diol
MOLECULAR FORMULA: C12H10O3
MOLECULAR WEIGHT: 202.206
SMILES: C1=CC=C(C=C1)OC2=C(C=C(C=C2)O)O
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Product OPENEYE NAME: 2-(4-hydroxyphenoxy)-5-methoxy-phenol
CAS Name: 2-(4-hydroxyphenoxy)-5-methoxyphenol
IUPAC NAME: 2-(4-hydroxyphenoxy)-5-methoxyphenol
SYSTEMATIC NAME: 5-methoxy-2-(4-oxidanylphenoxy)phenol
MOLECULAR FORMULA: C13H12O4
MOLECULAR WEIGHT: 232.23198
SMILES: COC1=CC(=C(C=C1)OC2=CC=C(C=C2)O)O
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Product OPENEYE NAME: 2-(2-hydroxy-4-methoxy-phenoxy)-5-methoxy-phenol
CAS Name: 2-(2-hydroxy-4-methoxyphenoxy)-5-methoxyphenol
IUPAC NAME: 2-(2-hydroxy-4-methoxyphenoxy)-5-methoxyphenol
SYSTEMATIC NAME: 5-methoxy-2-(4-methoxy-2-oxidanyl-phenoxy)phenol
MOLECULAR FORMULA: C14H14O5
MOLECULAR WEIGHT: 262.25796
SMILES: COC1=CC(=C(C=C1)OC2=C(C=C(C=C2)OC)O)O
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Product OPENEYE NAME: 2,6-dichloro-4-(3,5-dichloro-4-hydroxy-phenoxy)phenol
CAS Name: 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenoxy)phenol
IUPAC NAME: 2,6-dichloro-4-(3,5-dichloro-4-hydroxyphenoxy)phenol
SYSTEMATIC NAME: 4-[3,5-bis(chloranyl)-4-oxidanyl-phenoxy]-2,6-bis(chloranyl)phenol
MOLECULAR FORMULA: C12H6Cl4O3
MOLECULAR WEIGHT: 339.98624
SMILES: C1=C(C=C(C(=C1Cl)O)Cl)OC2=CC(=C(C(=C2)Cl)O)Cl
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Product OPENEYE NAME: 2,6-dichloro-4-phenoxy-phenol
CAS Name: 2,6-dichloro-4-phenoxyphenol
IUPAC NAME: 2,6-dichloro-4-phenoxyphenol
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-phenoxy-phenol
MOLECULAR FORMULA: C12H8Cl2O2
MOLECULAR WEIGHT: 255.09672
SMILES: C1=CC=C(C=C1)OC2=CC(=C(C(=C2)Cl)O)Cl
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Product OPENEYE NAME: 4-(4-hydroxyphenyl)sulfanylbenzene-1,3-diol
CAS Name: 4-[(4-hydroxyphenyl)thio]benzene-1,3-diol
IUPAC NAME: 4-(4-hydroxyphenyl)sulfanylbenzene-1,3-diol
SYSTEMATIC NAME: 4-(4-hydroxyphenyl)sulfanylbenzene-1,3-diol
MOLECULAR FORMULA: C12H10O3S
MOLECULAR WEIGHT: 234.271
SMILES: C1=CC(=CC=C1O)SC2=C(C=C(C=C2)O)O
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