Thursday, July 26, 2012

http://ChemLookup.com Compounds




CAS RN: 5831-59-4
CAS Name: 2-methoxy-4,5-dimethyl-1,3,2$l^{5}-dioxaphospholane 2-oxide
OPENEYE Name: 2-methoxy-4,5-dimethyl-1,3,2$l^{5}-dioxaphospholane 2-oxide
IUPAC Name: 2-methoxy-4,5-dimethyl-1,3,2$l^{5}-dioxaphospholane 2-oxide
SYSTEMATIC NAME: 2-methoxy-4,5-dimethyl-1,3,2$l^{5}-dioxaphospholane 2-oxide
MOLECULAR FORMULA: C5H11O4P
MOLECULAR WEIGHT: 166.112201
SMILES: CC1C(OP(=O)(O1)OC)C
Structure:

CAS RN: 59863-75-1
CAS Name: 1-(2,4-dimethylphenyl)-2-phenylethane-1,2-dione
OPENEYE Name: 1-(2,4-dimethylphenyl)-2-phenyl-ethane-1,2-dione
IUPAC Name: 1-(2,4-dimethylphenyl)-2-phenylethane-1,2-dione
SYSTEMATIC NAME: 1-(2,4-dimethylphenyl)-2-phenyl-ethane-1,2-dione
MOLECULAR FORMULA: C16H14O2
MOLECULAR WEIGHT: 238.28116
SMILES: CC1=CC(=C(C=C1)C(=O)C(=O)C2=CC=CC=C2)C
Structure:

CAS RN: 4303-46-2
CAS Name: (4-bromophenyl)-dichloroborane
OPENEYE Name: (4-bromophenyl)-dichloro-borane
IUPAC Name: (4-bromophenyl)-dichloroborane
SYSTEMATIC NAME: (4-bromophenyl)-bis(chloranyl)borane
MOLECULAR FORMULA: C6H4BBrCl2
MOLECULAR WEIGHT: 237.71696
SMILES: B(C1=CC=C(C=C1)Br)(Cl)Cl
Structure:

CAS RN: 319-71-1
CAS Name: 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-2-oxoacetic acid
OPENEYE Name: 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-2-oxo-acetic acid
IUPAC Name: 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[[3-(2-azanylethyl)-1H-indol-5-yl]oxy]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: C1=CC2=C(C=C1OC(=O)C(=O)O)C(=CN2)CCN
Structure:

CAS RN: 32229-98-4
CAS Name: 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-2-oxoacetic acid
OPENEYE Name: 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-2-oxo-acetic acid
IUPAC Name: 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-2-oxoacetic acid
SYSTEMATIC NAME: 2-[[3-(2-azanylethyl)-1H-indol-5-yl]oxy]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: C1=CC2=C(C=C1OC(=O)C(=O)O)C(=CN2)CCN
Structure:

CAS RN: 28328-44-1
CAS Name: 2-amino-N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]propanamide
OPENEYE Name: 2-amino-N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]propanamide
IUPAC Name: 2-amino-N-[5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide
SYSTEMATIC NAME: N-[5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-propanamide
MOLECULAR FORMULA: C13H19N7O4
MOLECULAR WEIGHT: 337.33446
SMILES: CC(C(=O)NC1C(OC(C1O)N2C=NC3=C2N=CN=C3N)CO)N
Structure:

CAS RN: 23776-98-9
CAS Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid
OPENEYE Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid
IUPAC Name: 2-[(4-acetamidophenyl)sulfonylamino]acetic acid
SYSTEMATIC NAME: 2-[(4-acetamidophenyl)sulfonylamino]ethanoic acid
MOLECULAR FORMULA: C10H12N2O5S
MOLECULAR WEIGHT: 272.27768
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O
Structure:

CAS RN: 70460-24-1
CAS Name: 8-acetyl-2-(2-acetyl-3,5-dihydroxyphenyl)-5-hydroxy-1-benzopyran-4-one
OPENEYE Name: 8-acetyl-2-(2-acetyl-3,5-dihydroxy-phenyl)-5-hydroxy-chromen-4-one
IUPAC Name: 8-acetyl-2-(2-acetyl-3,5-dihydroxyphenyl)-5-hydroxychromen-4-one
SYSTEMATIC NAME: 8-ethanoyl-2-[2-ethanoyl-3,5-bis(oxidanyl)phenyl]-5-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C19H14O7
MOLECULAR WEIGHT: 354.31026
SMILES: CC(=O)C1=C2C(=C(C=C1)O)C(=O)C=C(O2)C3=CC(=CC(=C3C(=O)C)O)O
Structure:

CAS RN: 883-92-1
CAS Name: 6-chloro-2-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 6-chloro-2-oxo-chromene-3-carboxylic acid
IUPAC Name: 6-chloro-2-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 6-chloranyl-2-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C10H5ClO4
MOLECULAR WEIGHT: 224.5973
SMILES: C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C(=O)O
Structure:

CAS RN: 6087-65-6
CAS Name: 2-hydroxy-6-nitro-4-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 2-hydroxy-6-nitro-4-oxo-chromene-3-carboxylic acid
IUPAC Name: 2-hydroxy-6-nitro-4-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 6-nitro-2-oxidanyl-4-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C10H5NO7
MOLECULAR WEIGHT: 251.1492
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=C(O2)O)C(=O)O
Structure:

CAS RN: 6087-64-5
CAS Name: 6-bromo-2-hydroxy-4-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 6-bromo-2-hydroxy-4-oxo-chromene-3-carboxylic acid
IUPAC Name: 6-bromo-2-hydroxy-4-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 6-bromanyl-2-oxidanyl-4-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C10H5BrO5
MOLECULAR WEIGHT: 285.0477
SMILES: C1=CC2=C(C=C1Br)C(=O)C(=C(O2)O)C(=O)O
Structure:

CAS RN: 6087-63-4
CAS Name: 6-chloro-2-hydroxy-4-oxo-1-benzopyran-3-carboxylic acid
OPENEYE Name: 6-chloro-2-hydroxy-4-oxo-chromene-3-carboxylic acid
IUPAC Name: 6-chloro-2-hydroxy-4-oxochromene-3-carboxylic acid
SYSTEMATIC NAME: 6-chloranyl-2-oxidanyl-4-oxidanylidene-chromene-3-carboxylic acid
MOLECULAR FORMULA: C10H5ClO5
MOLECULAR WEIGHT: 240.5967
SMILES: C1=CC2=C(C=C1Cl)C(=O)C(=C(O2)O)C(=O)O
Structure:

CAS RN: 507-79-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H21NO5
MOLECULAR WEIGHT: 331.36304
SMILES: CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O
Structure:

CAS RN: 5289-74-7
CAS Name: 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
OPENEYE Name: 2,3,14-trihydroxy-10,13-dimethyl-17-(1,2,5-trihydroxy-1,5-dimethyl-hexyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
IUPAC Name: 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
SYSTEMATIC NAME: 10,13-dimethyl-17-[6-methyl-2,3,6-tris(oxidanyl)heptan-2-yl]-2,3,14-tris(oxidanyl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
MOLECULAR FORMULA: C27H44O7
MOLECULAR WEIGHT: 480.63406
SMILES: CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O
Structure:

CAS RN: 42830-48-8
CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]oxane-3,4,5-triol
OPENEYE Name: 2-[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-chroman-7-yl]oxytetrahydropyran-3,4,5-triol
IUPAC Name: 2-[[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol
SYSTEMATIC NAME: 2-[[2-[3,4-bis(oxidanyl)phenyl]-3,5-bis(oxidanyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol
MOLECULAR FORMULA: C20H22O10
MOLECULAR WEIGHT: 422.38268
SMILES: C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(C(CO3)O)O)O)C4=CC(=C(C=C4)O)O)O
Structure:

CAS RN: 32495-71-9
CAS Name: 2-[1-[2-(1,3-dioxo-2-isoindolyl)-9,10-dioxo-1-anthracenyl]-9,10-dioxo-2-anthracenyl]isoindole-1,3-dione
OPENEYE Name: 2-[1-[2-(1,3-dioxoisoindolin-2-yl)-9,10-dioxo-1-anthryl]-9,10-dioxo-2-anthryl]isoindoline-1,3-dione
IUPAC Name: 2-[1-[2-(1,3-dioxoisoindol-2-yl)-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-9,10-bis(oxidanylidene)anthracen-1-yl]-9,10-bis(oxidanylidene)anthracen-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C44H20N2O8
MOLECULAR WEIGHT: 704.6382
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)N9C(=O)C1=CC=CC=C1C9=O
Structure:

CAS RN: 32728-50-0
CAS Name: 2-[1-[2-(1,3-dioxo-2-isoindolyl)-9,10-dioxo-1-anthracenyl]-9,10-dioxo-2-anthracenyl]isoindole-1,3-dione
OPENEYE Name: 2-[1-[2-(1,3-dioxoisoindolin-2-yl)-9,10-dioxo-1-anthryl]-9,10-dioxo-2-anthryl]isoindoline-1,3-dione
IUPAC Name: 2-[1-[2-(1,3-dioxoisoindol-2-yl)-9,10-dioxoanthracen-1-yl]-9,10-dioxoanthracen-2-yl]isoindole-1,3-dione
SYSTEMATIC NAME: 2-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-9,10-bis(oxidanylidene)anthracen-1-yl]-9,10-bis(oxidanylidene)anthracen-2-yl]isoindole-1,3-dione
MOLECULAR FORMULA: C44H20N2O8
MOLECULAR WEIGHT: 704.6382
SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O)C6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)N9C(=O)C1=CC=CC=C1C9=O
Structure:

CAS RN: 4361-23-3
CAS Name: 1-anilino-4-(2-hydroxyethylamino)anthracene-9,10-dione
OPENEYE Name: 1-anilino-4-(2-hydroxyethylamino)anthracene-9,10-dione
IUPAC Name: 1-anilino-4-(2-hydroxyethylamino)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(2-hydroxyethylamino)-4-phenylazanyl-anthracene-9,10-dione
MOLECULAR FORMULA: C22H18N2O3
MOLECULAR WEIGHT: 358.38992
SMILES: C1=CC=C(C=C1)NC2=C3C(=C(C=C2)NCCO)C(=O)C4=CC=CC=C4C3=O
Structure:

CAS RN: 4808-69-9
CAS Name: 6-methyl-3-pyridinesulfonic acid
OPENEYE Name: 6-methylpyridine-3-sulfonic acid
IUPAC Name: 6-methylpyridine-3-sulfonic acid
SYSTEMATIC NAME: 6-methylpyridine-3-sulfonic acid
MOLECULAR FORMULA: C6H7NO3S
MOLECULAR WEIGHT: 173.18968
SMILES: CC1=NC=C(C=C1)S(=O)(=O)O
Structure:

CAS RN: 20535-58-4
CAS Name: 5-(3,4-dichlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
OPENEYE Name: 5-(3,4-dichlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
IUPAC Name: 5-(3,4-dichlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-(3,4-dichlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
MOLECULAR FORMULA: C13H14Cl2N4O
MOLECULAR WEIGHT: 313.18246
SMILES: CCOCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl
Structure:

CAS RN: 61725-93-7
CAS Name: 2-(6-chloro-2-methyl-1H-indol-3-yl)acetic acid
OPENEYE Name: 2-(6-chloro-2-methyl-1H-indol-3-yl)acetic acid
IUPAC Name: 2-(6-chloro-2-methyl-1H-indol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(6-chloranyl-2-methyl-1H-indol-3-yl)ethanoic acid
MOLECULAR FORMULA: C11H10ClNO2
MOLECULAR WEIGHT: 223.6556
SMILES: CC1=C(C2=C(N1)C=C(C=C2)Cl)CC(=O)O
Structure:

CAS RN: 6127-17-9
CAS Name: 6-chloro-2-methyl-1H-indole
OPENEYE Name: 6-chloro-2-methyl-1H-indole
IUPAC Name: 6-chloro-2-methyl-1H-indole
SYSTEMATIC NAME: 6-chloranyl-2-methyl-1H-indole
MOLECULAR FORMULA: C9H8ClN
MOLECULAR WEIGHT: 165.61952
SMILES: CC1=CC2=C(N1)C=C(C=C2)Cl
Structure:

CAS RN: 38052-89-0
CAS Name: 2-(4-chloro-2-nitrophenyl)acetic acid
OPENEYE Name: 2-(4-chloro-2-nitro-phenyl)acetic acid
IUPAC Name: 2-(4-chloro-2-nitrophenyl)acetic acid
SYSTEMATIC NAME: 2-(4-chloranyl-2-nitro-phenyl)ethanoic acid
MOLECULAR FORMULA: C8H6ClNO4
MOLECULAR WEIGHT: 215.59054
SMILES: C1=CC(=C(C=C1Cl)[N+](=O)[O-])CC(=O)O
Structure:

CAS RN: 6154-06-9
CAS Name: 2-(4-bromo-2-nitrophenyl)acetic acid
OPENEYE Name: 2-(4-bromo-2-nitro-phenyl)acetic acid
IUPAC Name: 2-(4-bromo-2-nitrophenyl)acetic acid
SYSTEMATIC NAME: 2-(4-bromanyl-2-nitro-phenyl)ethanoic acid
MOLECULAR FORMULA: C8H6BrNO4
MOLECULAR WEIGHT: 260.04154
SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O
Structure:

CAS RN: 6127-11-3
CAS Name: 2-(4-bromo-2-nitrophenyl)acetic acid
OPENEYE Name: 2-(4-bromo-2-nitro-phenyl)acetic acid
IUPAC Name: 2-(4-bromo-2-nitrophenyl)acetic acid
SYSTEMATIC NAME: 2-(4-bromanyl-2-nitro-phenyl)ethanoic acid
MOLECULAR FORMULA: C8H6BrNO4
MOLECULAR WEIGHT: 260.04154
SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])CC(=O)O
Structure:

CAS RN: 61720-31-8
CAS Name: 1-(4-chloro-2-nitrophenyl)-2-propanone
OPENEYE Name: 1-(4-chloro-2-nitro-phenyl)propan-2-one
IUPAC Name: 1-(4-chloro-2-nitrophenyl)propan-2-one
SYSTEMATIC NAME: 1-(4-chloranyl-2-nitro-phenyl)propan-2-one
MOLECULAR FORMULA: C9H8ClNO3
MOLECULAR WEIGHT: 213.61772
SMILES: CC(=O)CC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
Structure:

CAS RN: 6159-05-3
CAS Name: 1-(2-chloro-6-nitrophenyl)-2-propanone
OPENEYE Name: 1-(2-chloro-6-nitro-phenyl)propan-2-one
IUPAC Name: 1-(2-chloro-6-nitrophenyl)propan-2-one
SYSTEMATIC NAME: 1-(2-chloranyl-6-nitro-phenyl)propan-2-one
MOLECULAR FORMULA: C9H8ClNO3
MOLECULAR WEIGHT: 213.61772
SMILES: CC(=O)CC1=C(C=CC=C1Cl)[N+](=O)[O-]
Structure:

CAS RN: 14738-27-3
CAS Name: 2-[(4-methylphenyl)thio]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(p-tolylsulfanyl)acetate
IUPAC Name: ethyl 2-(4-methylphenyl)sulfanylacetate
SYSTEMATIC NAME: ethyl 2-(4-methylphenyl)sulfanylethanoate
MOLECULAR FORMULA: C11H14O2S
MOLECULAR WEIGHT: 210.29266
SMILES: CCOC(=O)CSC1=CC=C(C=C1)C
Structure:

CAS RN: 81186-95-0
CAS Name: [diphenyl(2,2,2-trifluoroethoxy)methyl]benzene
OPENEYE Name: [diphenyl(2,2,2-trifluoroethoxy)methyl]benzene
IUPAC Name: [diphenyl(2,2,2-trifluoroethoxy)methyl]benzene
SYSTEMATIC NAME: [diphenyl-[2,2,2-tris(fluoranyl)ethoxy]methyl]benzene
MOLECULAR FORMULA: C21H17F3O
MOLECULAR WEIGHT: 342.35429
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(F)(F)F
Structure:

CAS RN: 13858-89-4
CAS Name: N,N-dimethyl-1,3-benzoxazol-2-amine
OPENEYE Name: N,N-dimethyl-1,3-benzoxazol-2-amine
IUPAC Name: N,N-dimethyl-1,3-benzoxazol-2-amine
SYSTEMATIC NAME: N,N-dimethyl-1,3-benzoxazol-2-amine
MOLECULAR FORMULA: C9H10N2O
MOLECULAR WEIGHT: 162.1885
SMILES: CN(C)C1=NC2=CC=CC=C2O1
Structure:

CAS RN: 20807-44-7
CAS Name: 2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl]methylideneamino]benzoic acid
OPENEYE Name: 2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxy-phenyl]methyleneamino]benzoic acid
IUPAC Name: 2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxyphenyl]methylideneamino]benzoic acid
SYSTEMATIC NAME: 2-[[4-[bis(2-chloroethyl)amino]-2,5-dimethoxy-phenyl]methylideneamino]benzoic acid
MOLECULAR FORMULA: C20H22Cl2N2O4
MOLECULAR WEIGHT: 425.30568
SMILES: COC1=CC(=C(C=C1C=NC2=CC=CC=C2C(=O)O)OC)N(CCCl)CCCl
Structure:

CAS RN: 19711-99-0
CAS Name: 5-(4-methylphenyl)sulfonyl-6-(phenylmethylene)-7-benzo[d][1]benzazepinone
OPENEYE Name: 6-benzylidene-5-(p-tolylsulfonyl)benzo[d][1]benzazepin-7-one
IUPAC Name: 6-benzylidene-5-(4-methylphenyl)sulfonylbenzo[d][1]benzazepin-7-one
SYSTEMATIC NAME: 5-(4-methylphenyl)sulfonyl-6-(phenylmethylidene)benzo[d][1]benzazepin-7-one
MOLECULAR FORMULA: C28H21NO3S
MOLECULAR WEIGHT: 451.53624
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=CC=CC=C4C(=O)C2=CC5=CC=CC=C5
Structure:

CAS RN: 16321-99-6
CAS Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
OPENEYE Name: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
IUPAC Name: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
SYSTEMATIC NAME: 1-[(4,5-dimethoxy-2-nitro-phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
MOLECULAR FORMULA: C20H22N2O6
MOLECULAR WEIGHT: 386.39848
SMILES: COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC
Structure:

CAS RN: 22478-95-1
CAS Name: 3-[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]anilino]-oxomethyl]benzenesulfonyl fluoride
OPENEYE Name: 3-[[3-chloro-4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride
IUPAC Name: 3-[[3-chloro-4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride
SYSTEMATIC NAME: 3-[[3-chloranyl-4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride
MOLECULAR FORMULA: C20H20ClFN6O4S
MOLECULAR WEIGHT: 494.927003
SMILES: C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC(=C(C=C2)OCCCC3=C(N=C(N=C3N)N)N)Cl
Structure:

CAS RN: 22478-95-1
CAS Name: 3-[[3-chloro-4-[3-(2,4,6-triamino-5-pyrimidinyl)propoxy]anilino]-oxomethyl]benzenesulfonyl fluoride; ethanesulfonic acid
OPENEYE Name: 3-[[3-chloro-4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid
IUPAC Name: 3-[[3-chloro-4-[3-(2,4,6-triaminopyrimidin-5-yl)propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid
SYSTEMATIC NAME: 3-[[3-chloranyl-4-[3-[2,4,6-tris(azanyl)pyrimidin-5-yl]propoxy]phenyl]carbamoyl]benzenesulfonyl fluoride; ethanesulfonic acid
MOLECULAR FORMULA: C22H26ClFN6O7S2
MOLECULAR WEIGHT: 605.059243
SMILES: CCS(=O)(=O)O.C1=CC(=CC(=C1)S(=O)(=O)F)C(=O)NC2=CC(=C(C=C2)OCCCC3=C(N=C(N=C3N)N)N)Cl
Structure:

CAS RN: 55791-66-7
CAS Name: 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)undecyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
OPENEYE Name: 1-(1-decalin-1-ylundecyl)decalin
IUPAC Name: 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)undecyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SYSTEMATIC NAME: 1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)undecyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
MOLECULAR FORMULA: C31H56
MOLECULAR WEIGHT: 428.77634
SMILES: CCCCCCCCCCC(C1CCCC2C1CCCC2)C3CCCC4C3CCCC4
Structure:

CAS RN: 15336-81-9
CAS Name: 1-phenylheptylbenzene
OPENEYE Name: 1-phenylheptylbenzene
IUPAC Name: 1-phenylheptylbenzene
SYSTEMATIC NAME: 1-phenylheptylbenzene
MOLECULAR FORMULA: C19H24
MOLECULAR WEIGHT: 252.39386
SMILES: CCCCCCC(C1=CC=CC=C1)C2=CC=CC=C2
Structure:

CAS RN: 91179-44-1
CAS Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl-methylamino]acetic acid
OPENEYE Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl-methyl-amino]acetic acid
IUPAC Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl-methylamino]acetic acid
SYSTEMATIC NAME: 2-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C10H13NO6
MOLECULAR WEIGHT: 243.21332
SMILES: CN(CC1=C(C(=O)C=C(O1)CO)O)CC(=O)O
Structure:

CAS RN: 24870-12-0
CAS Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]methyl-methylamino]acetic acid
OPENEYE Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]methyl-methyl-amino]acetic acid
IUPAC Name: 2-[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]methyl-methylamino]acetic acid
SYSTEMATIC NAME: 2-[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]methyl-methyl-amino]ethanoic acid
MOLECULAR FORMULA: C10H13NO6
MOLECULAR WEIGHT: 243.21332
SMILES: CN(CC1=C(C(=O)C=C(O1)CO)O)CC(=O)O
Structure:

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