Thursday, April 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-hydroxyethyl (2-methoxyphenyl) carbonate
CAS Name: carbonic acid 2-hydroxyethyl (2-methoxyphenyl) ester
IUPAC NAME: 2-hydroxyethyl (2-methoxyphenyl) carbonate
SYSTEMATIC NAME: 2-hydroxyethyl (2-methoxyphenyl) carbonate
MOLECULAR FORMULA: C10H12O5
MOLECULAR WEIGHT: 212.19928
SMILES: COC1=CC=CC=C1OC(=O)OCCO
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Product OPENEYE NAME: 3-hydroxypropyl (2-methoxyphenyl) carbonate
CAS Name: carbonic acid 3-hydroxypropyl (2-methoxyphenyl) ester
IUPAC NAME: 3-hydroxypropyl (2-methoxyphenyl) carbonate
SYSTEMATIC NAME: (2-methoxyphenyl) 3-oxidanylpropyl carbonate
MOLECULAR FORMULA: C11H14O5
MOLECULAR WEIGHT: 226.22586
SMILES: COC1=CC=CC=C1OC(=O)OCCCO
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Product OPENEYE NAME: 4-hydroxybutyl (2-methoxyphenyl) carbonate
CAS Name: carbonic acid 4-hydroxybutyl (2-methoxyphenyl) ester
IUPAC NAME: 4-hydroxybutyl (2-methoxyphenyl) carbonate
SYSTEMATIC NAME: (2-methoxyphenyl) 4-oxidanylbutyl carbonate
MOLECULAR FORMULA: C12H16O5
MOLECULAR WEIGHT: 240.25244
SMILES: COC1=CC=CC=C1OC(=O)OCCCCO
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Product OPENEYE NAME: 5-hydroxypentyl (2-methoxyphenyl) carbonate
CAS Name: carbonic acid 5-hydroxypentyl (2-methoxyphenyl) ester
IUPAC NAME: 5-hydroxypentyl (2-methoxyphenyl) carbonate
SYSTEMATIC NAME: (2-methoxyphenyl) 5-oxidanylpentyl carbonate
MOLECULAR FORMULA: C13H18O5
MOLECULAR WEIGHT: 254.27902
SMILES: COC1=CC=CC=C1OC(=O)OCCCCCO
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Product OPENEYE NAME: 3-hydroxypropyl phenyl carbonate
CAS Name: carbonic acid 3-hydroxypropyl phenyl ester
IUPAC NAME: 3-hydroxypropyl phenyl carbonate
SYSTEMATIC NAME: 3-oxidanylpropyl phenyl carbonate
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: C1=CC=C(C=C1)OC(=O)OCCCO
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Product OPENEYE NAME: 3-hydroxypropyl (2-methoxy-4-methyl-phenyl) carbonate
CAS Name: carbonic acid 3-hydroxypropyl (2-methoxy-4-methylphenyl) ester
IUPAC NAME: 3-hydroxypropyl (2-methoxy-4-methylphenyl) carbonate
SYSTEMATIC NAME: (2-methoxy-4-methyl-phenyl) 3-oxidanylpropyl carbonate
MOLECULAR FORMULA: C12H16O5
MOLECULAR WEIGHT: 240.25244
SMILES: CC1=CC(=C(C=C1)OC(=O)OCCCO)OC
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Product OPENEYE NAME: (3-hydroxy-2,2-dimethyl-propyl) (2-methoxyphenyl) carbonate
CAS Name: carbonic acid (3-hydroxy-2,2-dimethylpropyl) (2-methoxyphenyl) ester
IUPAC NAME: (3-hydroxy-2,2-dimethylpropyl) (2-methoxyphenyl) carbonate
SYSTEMATIC NAME: (2,2-dimethyl-3-oxidanyl-propyl) (2-methoxyphenyl) carbonate
MOLECULAR FORMULA: C13H18O5
MOLECULAR WEIGHT: 254.27902
SMILES: CC(C)(CO)COC(=O)OC1=CC=CC=C1OC
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Product OPENEYE NAME: (3-hydroxy-1-methyl-butyl) (2-methoxyphenyl) carbonate
CAS Name: carbonic acid 4-hydroxypentan-2-yl (2-methoxyphenyl) ester
IUPAC NAME: 4-hydroxypentan-2-yl (2-methoxyphenyl) carbonate
SYSTEMATIC NAME: (2-methoxyphenyl) 4-oxidanylpentan-2-yl carbonate
MOLECULAR FORMULA: C13H18O5
MOLECULAR WEIGHT: 254.27902
SMILES: CC(CC(C)OC(=O)OC1=CC=CC=C1OC)O
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Product OPENEYE NAME: (4-formyl-2-methoxy-phenyl) (3-hydroxy-1-methyl-butyl) carbonate
CAS Name: carbonic acid (4-formyl-2-methoxyphenyl) 4-hydroxypentan-2-yl ester
IUPAC NAME: (4-formyl-2-methoxyphenyl) 4-hydroxypentan-2-yl carbonate
SYSTEMATIC NAME: (4-methanoyl-2-methoxy-phenyl) 4-oxidanylpentan-2-yl carbonate
MOLECULAR FORMULA: C14H18O6
MOLECULAR WEIGHT: 282.28912
SMILES: CC(CC(C)OC(=O)OC1=C(C=C(C=C1)C=O)OC)O
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Product OPENEYE NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl phenyl carbonate
CAS Name: carbonic acid (2,2-dimethyl-1,3-dioxolan-4-yl)methyl phenyl ester
IUPAC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl phenyl carbonate
SYSTEMATIC NAME: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl phenyl carbonate
MOLECULAR FORMULA: C13H16O5
MOLECULAR WEIGHT: 252.26314
SMILES: CC1(OCC(O1)COC(=O)OC2=CC=CC=C2)C
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Product OPENEYE NAME: 1-bromo-1,2-dihydroacenaphthylene
CAS Name: 1-bromo-1,2-dihydroacenaphthylene
IUPAC NAME: 1-bromo-1,2-dihydroacenaphthylene
SYSTEMATIC NAME: 1-bromanyl-1,2-dihydroacenaphthylene
MOLECULAR FORMULA: C12H9Br
MOLECULAR WEIGHT: 233.10386
SMILES: C1C(C2=CC=CC3=C2C1=CC=C3)Br
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Product OPENEYE NAME: (E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide
CAS Name: (E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-(1-methyl-4-pyridin-1-iumyl)-2-propen-1-one iodide
IUPAC NAME: (E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide
SYSTEMATIC NAME: (E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide
MOLECULAR FORMULA: C21H18INO
MOLECULAR WEIGHT: 427.27819
SMILES: C[N+]1=CC=C(C=C1)/C=C/C(=O)C2=C3CCC4=CC=CC(=C43)C=C2.[I-]
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Product OPENEYE NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide
CAS Name: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methyl-4-pyridin-1-iumyl)-2-propen-1-one iodide
IUPAC NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide
SYSTEMATIC NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one iodide
MOLECULAR FORMULA: C21H18INO
MOLECULAR WEIGHT: 427.27819
SMILES: C[N+]1=CC=C(C=C1)/C=C/C(=O)C2=C3C=CC=C4C3=C(CC4)C=C2.[I-]
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Product OPENEYE NAME: (E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-3-yl)-2-oxo-ethyl]pyridin-1-ium-4-yl]prop-2-en-1-one bromide
CAS Name: (E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-3-yl)-2-oxoethyl]-4-pyridin-1-iumyl]-2-propen-1-one bromide
IUPAC NAME: (E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-3-yl)-2-oxoethyl]pyridin-1-ium-4-yl]prop-2-en-1-one bromide
SYSTEMATIC NAME: (E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-3-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]prop-2-en-1-one bromide
MOLECULAR FORMULA: C34H26BrNO2
MOLECULAR WEIGHT: 560.47974
SMILES: C1CC2=C(C=CC3=C2C1=CC=C3)C(=O)C[N+]4=CC=C(C=C4)/C=C/C(=O)C5=C6CCC7=CC=CC(=C76)C=C5.[Br-]
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Product OPENEYE NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxo-ethyl]pyridin-1-ium-4-yl]prop-2-en-1-one bromide
CAS Name: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-4-pyridin-1-iumyl]-2-propen-1-one bromide
IUPAC NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]pyridin-1-ium-4-yl]prop-2-en-1-one bromide
SYSTEMATIC NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]prop-2-en-1-one bromide
MOLECULAR FORMULA: C34H26BrNO2
MOLECULAR WEIGHT: 560.47974
SMILES: C1CC2=CC=CC3=C(C=CC1=C23)C(=O)C[N+]4=CC=C(C=C4)/C=C/C(=O)C5=C6C=CC=C7C6=C(CC7)C=C5.[Br-]
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Product OPENEYE NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxo-ethyl]pyridin-1-ium-4-yl]prop-2-en-1-one
CAS Name: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]-4-pyridin-1-iumyl]-2-propen-1-one
IUPAC NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxoethyl]pyridin-1-ium-4-yl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(1,2-dihydroacenaphthylen-5-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-5-yl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]prop-2-en-1-one
MOLECULAR FORMULA: C34H26NO2+
MOLECULAR WEIGHT: 480.57574
SMILES: C1CC2=CC=CC3=C(C=CC1=C23)C(=O)C[N+]4=CC=C(C=C4)/C=C/C(=O)C5=C6C=CC=C7C6=C(CC7)C=C5
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Product OPENEYE NAME: 1-ethylseleninylethane
CAS Name: 1-ethylseleninylethane
IUPAC NAME: 1-ethylseleninylethane
SYSTEMATIC NAME: 1-ethylseleninylethane
MOLECULAR FORMULA: C4H10OSe
MOLECULAR WEIGHT: 153.0816
SMILES: CC[Se](=O)CC
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Product OPENEYE NAME: N-benzylsulfanyl-N-methyl-methanamine
CAS Name: N,N-dimethyl-1-phenylmethanesulfenamide
IUPAC NAME: N-benzylsulfanyl-N-methylmethanamine
SYSTEMATIC NAME: N-methyl-N-(phenylmethylsulfanyl)methanamine
MOLECULAR FORMULA: C9H13NS
MOLECULAR WEIGHT: 167.27122
SMILES: CN(C)SCC1=CC=CC=C1
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Product OPENEYE NAME: 2-chloroethyl benzenesulfonate
CAS Name: benzenesulfonic acid 2-chloroethyl ester
IUPAC NAME: 2-chloroethyl benzenesulfonate
SYSTEMATIC NAME: 2-chloroethyl benzenesulfonate
MOLECULAR FORMULA: C8H9ClO3S
MOLECULAR WEIGHT: 220.67326
SMILES: C1=CC=C(C=C1)S(=O)(=O)OCCCl
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Product OPENEYE NAME: N-diphenylphosphoryloxy-N-methyl-methanamine
CAS Name: N-diphenylphosphoryloxy-N-methylmethanamine
IUPAC NAME: N-diphenylphosphoryloxy-N-methylmethanamine
SYSTEMATIC NAME: N-diphenylphosphoryloxy-N-methyl-methanamine
MOLECULAR FORMULA: C14H16NO2P
MOLECULAR WEIGHT: 261.256101
SMILES: CN(C)OP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: N-diphenylphosphoryloxypropan-2-amine
CAS Name: N-diphenylphosphoryloxy-2-propanamine
IUPAC NAME: N-diphenylphosphoryloxypropan-2-amine
SYSTEMATIC NAME: N-diphenylphosphoryloxypropan-2-amine
MOLECULAR FORMULA: C15H18NO2P
MOLECULAR WEIGHT: 275.282681
SMILES: CC(C)NOP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
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Product OPENEYE NAME: N-benzyl-2-[(dimethylamino)methyl]aniline
CAS Name: 2-[(dimethylamino)methyl]-N-(phenylmethyl)aniline
IUPAC NAME: N-benzyl-2-[(dimethylamino)methyl]aniline
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]-N-(phenylmethyl)aniline
MOLECULAR FORMULA: C16H20N2
MOLECULAR WEIGHT: 240.3434
SMILES: CN(C)CC1=CC=CC=C1NCC2=CC=CC=C2
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Product OPENEYE NAME: 2-[(dimethylamino)methyl]-N-ethyl-aniline
CAS Name: 2-[(dimethylamino)methyl]-N-ethylaniline
IUPAC NAME: 2-[(dimethylamino)methyl]-N-ethylaniline
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]-N-ethyl-aniline
MOLECULAR FORMULA: C11H18N2
MOLECULAR WEIGHT: 178.27402
SMILES: CCNC1=CC=CC=C1CN(C)C
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