Tuesday, July 24, 2012

http://ChemLookup.com Compounds




CAS RN: 64573-75-7
CAS Name: 1-chloro-4-[4-[(4-chlorophenyl)sulfonylthio]butylthio]sulfonylbenzene
OPENEYE Name: 1-chloro-4-[4-(4-chlorophenyl)sulfonylsulfanylbutylsulfanylsulfonyl]benzene
IUPAC Name: 1-chloro-4-[4-(4-chlorophenyl)sulfonylsulfanylbutylsulfanylsulfonyl]benzene
SYSTEMATIC NAME: 1-chloranyl-4-[4-(4-chlorophenyl)sulfonylsulfanylbutylsulfanylsulfonyl]benzene
MOLECULAR FORMULA: C16H16Cl2O4S4
MOLECULAR WEIGHT: 471.46184
SMILES: C1=CC(=CC=C1S(=O)(=O)SCCCCSS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
Structure:

CAS RN: 31377-95-4
CAS Name: 1-(4-bromophenyl)-2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-2-[(4-methylphenyl)sulfonylthio]ethanone
OPENEYE Name: 1-(4-bromophenyl)-2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-2-(p-tolylsulfonylsulfanyl)ethanone
IUPAC Name: 1-(4-bromophenyl)-2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-2-(4-methylphenyl)sulfonylsulfanylethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-2-(4-methylphenyl)sulfonylsulfanyl-ethanone
MOLECULAR FORMULA: C23H18Br2O4S3
MOLECULAR WEIGHT: 614.38962
SMILES: CC1=CC=C(C=C1)S(=O)(=O)SC(C(=O)C2=CC=C(C=C2)Br)SCC(=O)C3=CC=C(C=C3)Br
Structure:

CAS RN: 31377-94-3
CAS Name: 1-(4-bromophenyl)-2-[(4-methylphenyl)sulfonylthio]ethanone
OPENEYE Name: 1-(4-bromophenyl)-2-(p-tolylsulfonylsulfanyl)ethanone
IUPAC Name: 1-(4-bromophenyl)-2-(4-methylphenyl)sulfonylsulfanylethanone
SYSTEMATIC NAME: 1-(4-bromophenyl)-2-(4-methylphenyl)sulfonylsulfanyl-ethanone
MOLECULAR FORMULA: C15H13BrO3S2
MOLECULAR WEIGHT: 385.29592
SMILES: CC1=CC=C(C=C1)S(=O)(=O)SCC(=O)C2=CC=C(C=C2)Br
Structure:

CAS RN: 25173-37-9
CAS Name: 3-(4-methylphenoxy)propanoic acid
OPENEYE Name: 3-(4-methylphenoxy)propanoic acid
IUPAC Name: 3-(4-methylphenoxy)propanoic acid
SYSTEMATIC NAME: 3-(4-methylphenoxy)propanoic acid
MOLECULAR FORMULA: C10H12O3
MOLECULAR WEIGHT: 180.20048
SMILES: CC1=CC=C(C=C1)OCCC(=O)O
Structure:

CAS RN: 32570-93-7
CAS Name: 5-amino-6-(phenylthio)-2H-1,2,4-triazin-3-one
OPENEYE Name: 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
IUPAC Name: 5-amino-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
SYSTEMATIC NAME: 5-azanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
MOLECULAR FORMULA: C9H8N4OS
MOLECULAR WEIGHT: 220.25102
SMILES: C1=CC=C(C=C1)SC2=NNC(=O)N=C2N
Structure:

CAS RN: 3672-41-1
CAS Name: 4-bromobenzenesulfonic acid [1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl] ester
OPENEYE Name: 1,1-bis(trifluoromethyl)allyl 4-bromobenzenesulfonate
IUPAC Name: [1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-yl] 4-bromobenzenesulfonate
SYSTEMATIC NAME: [1,1,1-tris(fluoranyl)-2-(trifluoromethyl)but-3-en-2-yl] 4-bromanylbenzenesulfonate
MOLECULAR FORMULA: C11H7BrF6O3S
MOLECULAR WEIGHT: 413.130899
SMILES: C=CC(C(F)(F)F)(C(F)(F)F)OS(=O)(=O)C1=CC=C(C=C1)Br
Structure:

CAS RN: 94156-75-9
CAS Name: 1-[chloro(phenyl)methyl]naphthalene
OPENEYE Name: 1-[chloro(phenyl)methyl]naphthalene
IUPAC Name: 1-[chloro(phenyl)methyl]naphthalene
SYSTEMATIC NAME: 1-[chloranyl(phenyl)methyl]naphthalene
MOLECULAR FORMULA: C17H13Cl
MOLECULAR WEIGHT: 252.73812
SMILES: C1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)Cl
Structure:

CAS RN: 33228-58-9
CAS Name: 2-formamido-2-phenylpropanoic acid
OPENEYE Name: 2-formamido-2-phenyl-propanoic acid
IUPAC Name: 2-formamido-2-phenylpropanoic acid
SYSTEMATIC NAME: 2-formamido-2-phenyl-propanoic acid
MOLECULAR FORMULA: C10H11NO3
MOLECULAR WEIGHT: 193.19924
SMILES: CC(C1=CC=CC=C1)(C(=O)O)NC=O
Structure:

CAS RN: 82884-59-1
CAS Name: bis(4-nitrophenyl)methanone hydrazone
OPENEYE Name: bis(4-nitrophenyl)methanone hydrazone
IUPAC Name: bis(4-nitrophenyl)methylidenehydrazine
SYSTEMATIC NAME: bis(4-nitrophenyl)methylidenediazane
MOLECULAR FORMULA: C13H10N4O4
MOLECULAR WEIGHT: 286.2429
SMILES: C1=CC(=CC=C1C(=NN)C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 2046-17-5
CAS Name: 4-phenylbutanoic acid methyl ester
OPENEYE Name: methyl 4-phenylbutanoate
IUPAC Name: methyl 4-phenylbutanoate
SYSTEMATIC NAME: methyl 4-phenylbutanoate
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: COC(=O)CCCC1=CC=CC=C1
Structure:

CAS RN: 28871-63-8
CAS Name: 2-aminopropylphosphonic acid
OPENEYE Name: 2-aminopropylphosphonic acid
IUPAC Name: 2-aminopropylphosphonic acid
SYSTEMATIC NAME: 2-azanylpropylphosphonic acid
MOLECULAR FORMULA: C3H10NO3P
MOLECULAR WEIGHT: 139.090161
SMILES: CC(CP(=O)(O)O)N
Structure:

CAS RN: 80705-86-8
CAS Name: (1-amino-3-phosphonopropyl)phosphonic acid
OPENEYE Name: (1-amino-3-phosphono-propyl)phosphonic acid
IUPAC Name: (1-amino-3-phosphonopropyl)phosphonic acid
SYSTEMATIC NAME: (1-azanyl-3-phosphono-propyl)phosphonic acid
MOLECULAR FORMULA: C3H11NO6P2
MOLECULAR WEIGHT: 219.070062
SMILES: C(CP(=O)(O)O)C(N)P(=O)(O)O
Structure:

CAS RN: 18963-24-1
CAS Name: 1,5-diaminopentylphosphonic acid
OPENEYE Name: 1,5-diaminopentylphosphonic acid
IUPAC Name: 1,5-diaminopentylphosphonic acid
SYSTEMATIC NAME: 1,5-bis(azanyl)pentylphosphonic acid
MOLECULAR FORMULA: C5H15N2O3P
MOLECULAR WEIGHT: 182.157961
SMILES: C(CCN)CC(N)P(=O)(O)O
Structure:

CAS RN: 20926-47-0
CAS Name: 1,4-diaminobutylphosphonic acid
OPENEYE Name: 1,4-diaminobutylphosphonic acid
IUPAC Name: 1,4-diaminobutylphosphonic acid
SYSTEMATIC NAME: 1,4-bis(azanyl)butylphosphonic acid
MOLECULAR FORMULA: C4H13N2O3P
MOLECULAR WEIGHT: 168.131381
SMILES: C(CC(N)P(=O)(O)O)CN
Structure:

CAS RN: 1727-63-5
CAS Name: 1,3-diaminopropylphosphonic acid
OPENEYE Name: 1,3-diaminopropylphosphonic acid
IUPAC Name: 1,3-diaminopropylphosphonic acid
SYSTEMATIC NAME: 1,3-bis(azanyl)propylphosphonic acid
MOLECULAR FORMULA: C3H11N2O3P
MOLECULAR WEIGHT: 154.104801
SMILES: C(CN)C(N)P(=O)(O)O
Structure:

CAS RN: 16675-74-4
CAS Name: 1,2-diaminoethylphosphonic acid
OPENEYE Name: 1,2-diaminoethylphosphonic acid
IUPAC Name: 1,2-diaminoethylphosphonic acid
SYSTEMATIC NAME: 1,2-bis(azanyl)ethylphosphonic acid
MOLECULAR FORMULA: C2H9N2O3P
MOLECULAR WEIGHT: 140.078221
SMILES: C(C(N)P(=O)(O)O)N
Structure:

CAS RN: 60049-89-0
CAS Name: (1-amino-2-methylpropan-2-yl)phosphonic acid
OPENEYE Name: (2-amino-1,1-dimethyl-ethyl)phosphonic acid
IUPAC Name: (1-amino-2-methylpropan-2-yl)phosphonic acid
SYSTEMATIC NAME: (1-azanyl-2-methyl-propan-2-yl)phosphonic acid
MOLECULAR FORMULA: C4H12NO3P
MOLECULAR WEIGHT: 153.116741
SMILES: CC(C)(CN)P(=O)(O)O
Structure:

CAS RN: 67567-23-1
CAS Name: [1-amino-3-(4-hydroxyphenyl)propan-2-yl]phosphonic acid
OPENEYE Name: [1-(aminomethyl)-2-(4-hydroxyphenyl)ethyl]phosphonic acid
IUPAC Name: [1-amino-3-(4-hydroxyphenyl)propan-2-yl]phosphonic acid
SYSTEMATIC NAME: [1-azanyl-3-(4-hydroxyphenyl)propan-2-yl]phosphonic acid
MOLECULAR FORMULA: C9H14NO4P
MOLECULAR WEIGHT: 231.185521
SMILES: C1=CC(=CC=C1CC(CN)P(=O)(O)O)O
Structure:

CAS RN: 6640-35-3
CAS Name: [1-amino-3-(4-methoxyphenyl)propan-2-yl]phosphonic acid
OPENEYE Name: [1-(aminomethyl)-2-(4-methoxyphenyl)ethyl]phosphonic acid
IUPAC Name: [1-amino-3-(4-methoxyphenyl)propan-2-yl]phosphonic acid
SYSTEMATIC NAME: [1-azanyl-3-(4-methoxyphenyl)propan-2-yl]phosphonic acid
MOLECULAR FORMULA: C10H16NO4P
MOLECULAR WEIGHT: 245.212101
SMILES: COC1=CC=C(C=C1)CC(CN)P(=O)(O)O
Structure:

CAS RN: 23685-49-6
CAS Name: N-[dimethylamino(propan-2-yl)phosphoryl]-N-methylmethanamine
OPENEYE Name: N-[dimethylamino(isopropyl)phosphoryl]-N-methyl-methanamine
IUPAC Name: N-[dimethylamino(propan-2-yl)phosphoryl]-N-methylmethanamine
SYSTEMATIC NAME: N-[dimethylamino(propan-2-yl)phosphoryl]-N-methyl-methanamine
MOLECULAR FORMULA: C7H19N2OP
MOLECULAR WEIGHT: 178.212321
SMILES: CC(C)P(=O)(N(C)C)N(C)C
Structure:

CAS RN: 91806-24-5
CAS Name: N-[butan-2-yl(dimethylamino)phosphoryl]-N-methylmethanamine
OPENEYE Name: N-[dimethylamino(sec-butyl)phosphoryl]-N-methyl-methanamine
IUPAC Name: N-[butan-2-yl(dimethylamino)phosphoryl]-N-methylmethanamine
SYSTEMATIC NAME: N-[butan-2-yl(dimethylamino)phosphoryl]-N-methyl-methanamine
MOLECULAR FORMULA: C8H21N2OP
MOLECULAR WEIGHT: 192.238901
SMILES: CCC(C)P(=O)(N(C)C)N(C)C
Structure:

CAS RN: 67906-43-8
CAS Name: [dimethylamino(phenyl)methyl]phosphonic acid
OPENEYE Name: [dimethylamino(phenyl)methyl]phosphonic acid
IUPAC Name: [dimethylamino(phenyl)methyl]phosphonic acid
SYSTEMATIC NAME: [dimethylamino(phenyl)methyl]phosphonic acid
MOLECULAR FORMULA: C9H14NO3P
MOLECULAR WEIGHT: 215.186121
SMILES: CN(C)C(C1=CC=CC=C1)P(=O)(O)O
Structure:

CAS RN: 82810-68-2
CAS Name: 2-(dimethylamino)propan-2-ylphosphonic acid
OPENEYE Name: [1-(dimethylamino)-1-methyl-ethyl]phosphonic acid
IUPAC Name: 2-(dimethylamino)propan-2-ylphosphonic acid
SYSTEMATIC NAME: 2-(dimethylamino)propan-2-ylphosphonic acid
MOLECULAR FORMULA: C5H14NO3P
MOLECULAR WEIGHT: 167.143321
SMILES: CC(C)(N(C)C)P(=O)(O)O
Structure:

CAS RN: 35234-21-0
CAS Name: 1-aminoheptylphosphonic acid
OPENEYE Name: 1-aminoheptylphosphonic acid
IUPAC Name: 1-aminoheptylphosphonic acid
SYSTEMATIC NAME: 1-azanylheptylphosphonic acid
MOLECULAR FORMULA: C7H18NO3P
MOLECULAR WEIGHT: 195.196481
SMILES: CCCCCCC(N)P(=O)(O)O
Structure:

CAS RN: 66325-58-4
CAS Name: 2-diethoxyphosphoryl-3-(2-methoxyphenyl)-2-propenenitrile
OPENEYE Name: 2-diethoxyphosphoryl-3-(2-methoxyphenyl)prop-2-enenitrile
IUPAC Name: 2-diethoxyphosphoryl-3-(2-methoxyphenyl)prop-2-enenitrile
SYSTEMATIC NAME: 2-diethoxyphosphoryl-3-(2-methoxyphenyl)prop-2-enenitrile
MOLECULAR FORMULA: C14H18NO4P
MOLECULAR WEIGHT: 295.270781
SMILES: CCOP(=O)(C(=CC1=CC=CC=C1OC)C#N)OCC
Structure:

CAS RN: 18896-73-6
CAS Name: 2-diethoxyphosphoryl-3-phenyl-2-propenenitrile
OPENEYE Name: 2-diethoxyphosphoryl-3-phenyl-prop-2-enenitrile
IUPAC Name: 2-diethoxyphosphoryl-3-phenylprop-2-enenitrile
SYSTEMATIC NAME: 2-diethoxyphosphoryl-3-phenyl-prop-2-enenitrile
MOLECULAR FORMULA: C13H16NO3P
MOLECULAR WEIGHT: 265.244801
SMILES: CCOP(=O)(C(=CC1=CC=CC=C1)C#N)OCC
Structure:

CAS RN: 3699-67-0
CAS Name: 3-diethoxyphosphorylpropanoic acid ethyl ester
OPENEYE Name: ethyl 3-diethoxyphosphorylpropanoate
IUPAC Name: ethyl 3-diethoxyphosphorylpropanoate
SYSTEMATIC NAME: ethyl 3-diethoxyphosphorylpropanoate
MOLECULAR FORMULA: C9H19O5P
MOLECULAR WEIGHT: 238.217921
SMILES: CCOC(=O)CCP(=O)(OCC)OCC
Structure:

CAS RN: 2327-69-7
CAS Name: 4-diethoxyphosphorylbutanoic acid ethyl ester
OPENEYE Name: ethyl 4-diethoxyphosphorylbutanoate
IUPAC Name: ethyl 4-diethoxyphosphorylbutanoate
SYSTEMATIC NAME: ethyl 4-diethoxyphosphorylbutanoate
MOLECULAR FORMULA: C10H21O5P
MOLECULAR WEIGHT: 252.244501
SMILES: CCOC(=O)CCCP(=O)(OCC)OCC
Structure:

CAS RN: 59590-70-4
CAS Name: (1-amino-3-phenylpropan-2-yl)phosphonic acid
OPENEYE Name: [1-(aminomethyl)-2-phenyl-ethyl]phosphonic acid
IUPAC Name: (1-amino-3-phenylpropan-2-yl)phosphonic acid
SYSTEMATIC NAME: (1-azanyl-3-phenyl-propan-2-yl)phosphonic acid
MOLECULAR FORMULA: C9H14NO3P
MOLECULAR WEIGHT: 215.186121
SMILES: C1=CC=C(C=C1)CC(CN)P(=O)(O)O
Structure:

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