Tuesday, May 29, 2012

http://ChemLookup.com Compounds




CAS RN: 85212-85-7
CAS Name: 2-[4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy]acetic acid methyl ester
OPENEYE Name: methyl 2-[4-formyl-3-(2-methoxy-2-oxo-ethoxy)phenoxy]acetate
IUPAC Name: methyl 2-[4-formyl-3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
SYSTEMATIC NAME: methyl 2-[4-methanoyl-3-(2-methoxy-2-oxidanylidene-ethoxy)phenoxy]ethanoate
MOLECULAR FORMULA: C13H14O7
MOLECULAR WEIGHT: 282.24606
SMILES: COC(=O)COC1=CC(=C(C=C1)C=O)OCC(=O)OC
Structure:

CAS RN: 2980-56-5
CAS Name: 1-aziridinyl-[3-[1-aziridinyl(oxo)methyl]phenyl]methanone
OPENEYE Name: [3-(aziridine-1-carbonyl)phenyl]-(aziridin-1-yl)methanone
IUPAC Name: [3-(aziridine-1-carbonyl)phenyl]-(aziridin-1-yl)methanone
SYSTEMATIC NAME: aziridin-1-yl-[3-(aziridin-1-ylcarbonyl)phenyl]methanone
MOLECULAR FORMULA: C12H12N2O2
MOLECULAR WEIGHT: 216.23588
SMILES: C1CN1C(=O)C2=CC(=CC=C2)C(=O)N3CC3
Structure:

CAS RN: 64931-04-0
CAS Name: methanesulfonic acid (2-methylsulfonyloxyphenyl) ester
OPENEYE Name: (2-methylsulfonyloxyphenyl) methanesulfonate
IUPAC Name: (2-methylsulfonyloxyphenyl) methanesulfonate
SYSTEMATIC NAME: (2-methylsulfonyloxyphenyl) methanesulfonate
MOLECULAR FORMULA: C8H10O6S2
MOLECULAR WEIGHT: 266.2914
SMILES: CS(=O)(=O)OC1=CC=CC=C1OS(=O)(=O)C
Structure:

CAS RN: 86242-81-1
CAS Name: N-(2-ethenoxyethyl)formamide
OPENEYE Name: N-(2-vinyloxyethyl)formamide
IUPAC Name: N-(2-ethenoxyethyl)formamide
SYSTEMATIC NAME: N-(2-ethenoxyethyl)methanamide
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C=COCCNC=O
Structure:

CAS RN: 63594-18-3
CAS Name: 1-chloro-2,2-diethoxypropane
OPENEYE Name: 1-chloro-2,2-diethoxy-propane
IUPAC Name: 1-chloro-2,2-diethoxypropane
SYSTEMATIC NAME: 1-chloranyl-2,2-diethoxy-propane
MOLECULAR FORMULA: C7H15ClO2
MOLECULAR WEIGHT: 166.6458
SMILES: CCOC(C)(CCl)OCC
Structure:

CAS RN: 3028-06-6
CAS Name: N-(1,3-benzothiazol-2-yl)acetamide
OPENEYE Name: N-(1,3-benzothiazol-2-yl)acetamide
IUPAC Name: N-(1,3-benzothiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)ethanamide
MOLECULAR FORMULA: C9H8N2OS
MOLECULAR WEIGHT: 192.23762
SMILES: CC(=O)NC1=NC2=CC=CC=C2S1
Structure:

CAS RN: 52338-79-1
CAS Name: 4-(2-aminoethylamino)-4-oxo-2-butenoic acid
OPENEYE Name: 4-(2-aminoethylamino)-4-oxo-but-2-enoic acid
IUPAC Name: 4-(2-aminoethylamino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: 4-(2-azanylethylamino)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C6H10N2O3
MOLECULAR WEIGHT: 158.1552
SMILES: C(CNC(=O)C=CC(=O)O)N
Structure:

CAS RN: 13137-43-4
CAS Name: 2,6-dibromohexanoic acid
OPENEYE Name: 2,6-dibromohexanoic acid
IUPAC Name: 2,6-dibromohexanoic acid
SYSTEMATIC NAME: 2,6-bis(bromanyl)hexanoic acid
MOLECULAR FORMULA: C6H10Br2O2
MOLECULAR WEIGHT: 273.9504
SMILES: C(CCBr)CC(C(=O)O)Br
Structure:

CAS RN: 4538-37-8
CAS Name: 1,4-diisocyanatobutane
OPENEYE Name: 1,4-diisocyanatobutane
IUPAC Name: 1,4-diisocyanatobutane
SYSTEMATIC NAME: 1,4-diisocyanatobutane
MOLECULAR FORMULA: C6H8N2O2
MOLECULAR WEIGHT: 140.13992
SMILES: C(CCN=C=O)CN=C=O
Structure:

CAS RN: 41641-09-2
CAS Name: 1-(3-hydroxybut-1-ynyl)-2,2,6-trimethyl-1-cyclohexanol
OPENEYE Name: 1-(3-hydroxybut-1-ynyl)-2,2,6-trimethyl-cyclohexanol
IUPAC Name: 1-(3-hydroxybut-1-ynyl)-2,2,6-trimethylcyclohexan-1-ol
SYSTEMATIC NAME: 2,2,6-trimethyl-1-(3-oxidanylbut-1-ynyl)cyclohexan-1-ol
MOLECULAR FORMULA: C13H22O2
MOLECULAR WEIGHT: 210.31258
SMILES: CC1CCCC(C1(C#CC(C)O)O)(C)C
Structure:

CAS RN: 464-40-4
CAS Name: 2,2,3,3,4,4,4-heptafluorobutanoic acid [3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-2,2-bis[(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)methyl]propyl] ester
OPENEYE Name: [3-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-2,2-bis(2,2,3,3,4,4,4-heptafluorobutanoyloxymethyl)propyl] 2,2,3,3,4,4,4-heptafluorobutanoate
IUPAC Name: [3-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)-2,2-bis(2,2,3,3,4,4,4-heptafluorobutanoyloxymethyl)propyl] 2,2,3,3,4,4,4-heptafluorobutanoate
SYSTEMATIC NAME: [3-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyloxy]-2,2-bis[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyloxymethyl]propyl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate
MOLECULAR FORMULA: C21H8F28O8
MOLECULAR WEIGHT: 920.23871
SMILES: C(C(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
Structure:

CAS RN: 22179-08-4
CAS Name: 3-butoxythiolane 1,1-dioxide
OPENEYE Name: 3-butoxythiolane 1,1-dioxide
IUPAC Name: 3-butoxythiolane 1,1-dioxide
SYSTEMATIC NAME: 3-butoxythiolane 1,1-dioxide
MOLECULAR FORMULA: C8H16O3S
MOLECULAR WEIGHT: 192.27584
SMILES: CCCCOC1CCS(=O)(=O)C1
Structure:

CAS RN: 59749-65-4
CAS Name: N-(2-cyanoethyl)formamide
OPENEYE Name: N-(2-cyanoethyl)formamide
IUPAC Name: N-(2-cyanoethyl)formamide
SYSTEMATIC NAME: N-(2-cyanoethyl)methanamide
MOLECULAR FORMULA: C4H6N2O
MOLECULAR WEIGHT: 98.10324
SMILES: C(CNC=O)C#N
Structure:

CAS RN: 52742-32-2
CAS Name: benzoic acid [bis(phenylmethyl)amino] ester
OPENEYE Name: (dibenzylamino) benzoate
IUPAC Name: (dibenzylamino) benzoate
SYSTEMATIC NAME: [bis(phenylmethyl)amino] benzoate
MOLECULAR FORMULA: C21H19NO2
MOLECULAR WEIGHT: 317.38106
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)OC(=O)C3=CC=CC=C3
Structure:

CAS RN: 38858-02-5
CAS Name: N-[[oxo(2,2,2-trichloroethoxy)methyl]amino]carbamic acid 2,2,2-trichloroethyl ester
OPENEYE Name: 2,2,2-trichloroethyl N-(2,2,2-trichloroethoxycarbonylamino)carbamate
IUPAC Name: 2,2,2-trichloroethyl N-(2,2,2-trichloroethoxycarbonylamino)carbamate
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)ethyl N-[2,2,2-tris(chloranyl)ethoxycarbonylamino]carbamate
MOLECULAR FORMULA: C6H6Cl6N2O4
MOLECULAR WEIGHT: 382.84084
SMILES: C(C(Cl)(Cl)Cl)OC(=O)NNC(=O)OCC(Cl)(Cl)Cl
Structure:

CAS RN: 28461-50-9
CAS Name: 2-amino-N-[(3-nitrophenyl)methylideneamino]benzamide
OPENEYE Name: 2-amino-N-[(3-nitrophenyl)methyleneamino]benzamide
IUPAC Name: 2-amino-N-[(3-nitrophenyl)methylideneamino]benzamide
SYSTEMATIC NAME: 2-azanyl-N-[(3-nitrophenyl)methylideneamino]benzamide
MOLECULAR FORMULA: C14H12N4O3
MOLECULAR WEIGHT: 284.27008
SMILES: C1=CC=C(C(=C1)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-])N
Structure:

CAS RN: 1217-32-9
CAS Name: 2-(4-hydroxyphenyl)indene-1,3-dione
OPENEYE Name: 2-(4-hydroxyphenyl)indane-1,3-dione
IUPAC Name: 2-(4-hydroxyphenyl)indene-1,3-dione
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)indene-1,3-dione
MOLECULAR FORMULA: C15H10O3
MOLECULAR WEIGHT: 238.2381
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)O
Structure:

CAS RN: 89533-41-5
CAS Name: furan-3,4-dicarbohydrazide
OPENEYE Name: furan-3,4-dicarbohydrazide
IUPAC Name: furan-3,4-dicarbohydrazide
SYSTEMATIC NAME: furan-3,4-dicarbohydrazide
MOLECULAR FORMULA: C6H8N4O3
MOLECULAR WEIGHT: 184.15272
SMILES: C1=C(C(=CO1)C(=O)NN)C(=O)NN
Structure:

CAS RN: 71119-32-9
CAS Name: 4-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
IUPAC Name: 4-amino-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C11H14N4O2S2
MOLECULAR WEIGHT: 298.38446
SMILES: CCCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
Structure:

CAS RN: 42182-65-0
CAS Name: 1,3-benzothiazol-2-ylmethanamine
OPENEYE Name: 1,3-benzothiazol-2-ylmethanamine
IUPAC Name: 1,3-benzothiazol-2-ylmethanamine
SYSTEMATIC NAME: 1,3-benzothiazol-2-ylmethanamine
MOLECULAR FORMULA: C8H8N2S
MOLECULAR WEIGHT: 164.22752
SMILES: C1=CC=C2C(=C1)N=C(S2)CN
Structure:

CAS RN: 2948-14-3
CAS Name: 2-furancarboxylic acid phenyl ester
OPENEYE Name: phenyl furan-2-carboxylate
IUPAC Name: phenyl furan-2-carboxylate
SYSTEMATIC NAME: phenyl furan-2-carboxylate
MOLECULAR FORMULA: C11H8O3
MOLECULAR WEIGHT: 188.17942
SMILES: C1=CC=C(C=C1)OC(=O)C2=CC=CO2
Structure:

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