Thursday, June 30, 2011

http://ChemLookup.com Compounds




CAS RN: 108544-99-6
CAS Name: 2,3-dichloro-4,5-dimethoxybenzoic acid methyl ester
OPENEYE Name: methyl 2,3-dichloro-4,5-dimethoxy-benzoate
IUPAC Name: methyl 2,3-dichloro-4,5-dimethoxybenzoate
SYSTEMATIC NAME: methyl 2,3-bis(chloranyl)-4,5-dimethoxy-benzoate
MOLECULAR FORMULA: C10H10Cl2O4
MOLECULAR WEIGHT: 265.09
SMILES: COC1=C(C(=C(C(=C1)C(=O)OC)Cl)Cl)OC

CAS RN: 138090-35-4
CAS Name: N'-nitro-1-triazolecarboximidamide
OPENEYE Name: N'-nitrotriazole-1-carboxamidine
IUPAC Name: N'-nitrotriazole-1-carboximidamide
SYSTEMATIC NAME: N'-nitro-1,2,3-triazole-1-carboximidamide
MOLECULAR FORMULA: C3H4N6O2
MOLECULAR WEIGHT: 156.10286
SMILES: C1=CN(N=N1)/C(=N/[N+](=O)[O-])/N

CAS RN: 13637-90-6
CAS Name: sodium sulfamic acid chloro ester
OPENEYE Name: sodium chloro sulfamate
IUPAC Name: sodium chloro sulfamate
SYSTEMATIC NAME: sodium chloranyl sulfamate
MOLECULAR FORMULA: ClH2NNaO3S+
MOLECULAR WEIGHT: 154.52855
SMILES: NS(=O)(=O)OCl.[Na+]

CAS RN: 112022-20-5
CAS Name: N-[2-(dimethylamino)ethyl]-1-anthracenecarboxamide hydrochloride
OPENEYE Name: N-[2-(dimethylamino)ethyl]anthracene-1-carboxamide hydrochloride
IUPAC Name: N-[2-(dimethylamino)ethyl]anthracene-1-carboxamide hydrochloride
SYSTEMATIC NAME: N-[2-(dimethylamino)ethyl]anthracene-1-carboxamide hydrochloride
MOLECULAR FORMULA: C19H21ClN2O
MOLECULAR WEIGHT: 328.83584
SMILES: CN(C)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3C=C21.Cl

CAS RN: 17913-80-3
CAS Name: xenon-121
OPENEYE Name: xenon-121
IUPAC Name: xenon-121
SYSTEMATIC NAME: xenon-121
MOLECULAR FORMULA: Xe
MOLECULAR WEIGHT: 120.911386
SMILES: [121Xe]

CAS RN: 6146-88-9
CAS Name: 10-[(1-methyl-3-piperidinyl)methyl]phenothiazine hydrate hydrochloride
OPENEYE Name: 10-[(1-methyl-3-piperidyl)methyl]phenothiazine hydrate hydrochloride
IUPAC Name: 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine hydrate hydrochloride
SYSTEMATIC NAME: 10-[(1-methylpiperidin-3-yl)methyl]phenothiazine hydrate hydrochloride
MOLECULAR FORMULA: C19H25ClN2OS
MOLECULAR WEIGHT: 364.9326
SMILES: CN1CCCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42.O.Cl

CAS RN: 122751-67-1
CAS Name: 3-hydroxyheptacosanoic acid
OPENEYE Name: 3-hydroxyheptacosanoic acid
IUPAC Name: 3-hydroxyheptacosanoic acid
SYSTEMATIC NAME: 3-oxidanylheptacosanoic acid
MOLECULAR FORMULA: C27H54O3
MOLECULAR WEIGHT: 426.71586
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)O)O

CAS RN: 53081-02-0
CAS Name: silver 4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
OPENEYE Name: silver 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
IUPAC Name: silver 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SYSTEMATIC NAME: silver 4-azanyl-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C12H14AgN4O2S+
MOLECULAR WEIGHT: 386.19836
SMILES: CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C.[Ag+]

CAS RN: 24271-18-9
CAS Name: 4-(3,3-dimethyldecyl)benzenesulfonic acid
OPENEYE Name: 4-(3,3-dimethyldecyl)benzenesulfonic acid
IUPAC Name: 4-(3,3-dimethyldecyl)benzenesulfonic acid
SYSTEMATIC NAME: 4-(3,3-dimethyldecyl)benzenesulfonic acid
MOLECULAR FORMULA: C18H30O3S
MOLECULAR WEIGHT: 326.494
SMILES: CCCCCCCC(C)(C)CCC1=CC=C(C=C1)S(=O)(=O)O

CAS RN: 97340-75-5
CAS Name: 2,3-dimethylacridine
OPENEYE Name: 2,3-dimethylacridine
IUPAC Name: 2,3-dimethylacridine
SYSTEMATIC NAME: 2,3-dimethylacridine
MOLECULAR FORMULA: C15H13N
MOLECULAR WEIGHT: 207.27042
SMILES: CC1=CC2=CC3=CC=CC=C3N=C2C=C1C

CAS RN: 8065-30-3
CAS Name: 2-bromo-N-carbamoyl-2-ethylbutanamide; 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 2-bromo-N-carbamoyl-2-ethyl-butanamide; 5-ethyl-5-(1-methylbutyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 2-bromo-N-carbamoyl-2-ethylbutanamide; 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: N-aminocarbonyl-2-bromanyl-2-ethyl-butanamide; 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C18H31BrN4O5
MOLECULAR WEIGHT: 463.36654
SMILES: CCCC(C)C1(C(=O)NC(=O)NC1=O)CC.CCC(CC)(C(=O)NC(=O)N)Br

CAS RN: 74518-99-3
CAS Name: 4-[(E)-2-(4-tert-butylphenyl)ethenyl]aniline
OPENEYE Name: 4-[(E)-2-(4-tert-butylphenyl)vinyl]aniline
IUPAC Name: 4-[(E)-2-(4-tert-butylphenyl)ethenyl]aniline
SYSTEMATIC NAME: 4-[(E)-2-(4-tert-butylphenyl)ethenyl]aniline
MOLECULAR FORMULA: C18H21N
MOLECULAR WEIGHT: 251.36604
SMILES: CC(C)(C)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N

CAS RN: 15700-50-2
CAS Name: francium-219
OPENEYE Name: francium-219
IUPAC Name: francium-219
SYSTEMATIC NAME: francium-219
MOLECULAR FORMULA: Fr
MOLECULAR WEIGHT: 219.009241
SMILES: [219Fr]

CAS RN: 949588-40-3
CAS Name: formic acid; 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine; hydrochloride
OPENEYE Name: formic acid; 1-(6-methoxytetralin-2-yl)-N,N-dimethyl-1-phenyl-methanamine; hydrochloride
IUPAC Name: formic acid; 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethyl-1-phenylmethanamine; hydrochloride
SYSTEMATIC NAME: methanoic acid; 1-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethyl-1-phenyl-methanamine; hydrochloride
MOLECULAR FORMULA: C21H28ClNO3
MOLECULAR WEIGHT: 377.90492
SMILES: CN(C)C(C1CCC2=C(C1)C=CC(=C2)OC)C3=CC=CC=C3.C(=O)O.Cl

CAS RN: 53466-82-3
CAS Name: 2-(1-heptadecyl-4,5-dihydroimidazol-2-yl)ethanol hydrochloride
OPENEYE Name: 2-(1-heptadecyl-4,5-dihydroimidazol-2-yl)ethanol hydrochloride
IUPAC Name: 2-(1-heptadecyl-4,5-dihydroimidazol-2-yl)ethanol hydrochloride
SYSTEMATIC NAME: 2-(1-heptadecyl-4,5-dihydroimidazol-2-yl)ethanol hydrochloride
MOLECULAR FORMULA: C22H45ClN2O
MOLECULAR WEIGHT: 389.0585
SMILES: CCCCCCCCCCCCCCCCCN1CCN=C1CCO.Cl

CAS RN: 88927-42-8
CAS Name: 2-(2,3,4,5-tetrachlorophenoxy)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2,3,4,5-tetrachlorophenoxy)acetate
IUPAC Name: ethyl 2-(2,3,4,5-tetrachlorophenoxy)acetate
SYSTEMATIC NAME: ethyl 2-[2,3,4,5-tetrakis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C10H8Cl4O3
MOLECULAR WEIGHT: 317.98072
SMILES: CCOC(=O)COC1=CC(=C(C(=C1Cl)Cl)Cl)Cl

CAS RN: 106939-92-8
CAS Name: 2-formylbenzenesulfonic acid (4-bromophenyl) ester
OPENEYE Name: (4-bromophenyl) 2-formylbenzenesulfonate
IUPAC Name: (4-bromophenyl) 2-formylbenzenesulfonate
SYSTEMATIC NAME: (4-bromophenyl) 2-methanoylbenzenesulfonate
MOLECULAR FORMULA: C13H9BrO4S
MOLECULAR WEIGHT: 341.17716
SMILES: C1=CC=C(C(=C1)C=O)S(=O)(=O)OC2=CC=C(C=C2)Br

CAS RN: 12379-48-5
CAS Name: 2,3-dimethyl-N-propan-2-yl-1-phenanthrenamine
OPENEYE Name: N-isopropyl-2,3-dimethyl-phenanthren-1-amine
IUPAC Name: 2,3-dimethyl-N-propan-2-ylphenanthren-1-amine
SYSTEMATIC NAME: 2,3-dimethyl-N-propan-2-yl-phenanthren-1-amine
MOLECULAR FORMULA: C19H21N
MOLECULAR WEIGHT: 263.37674
SMILES: CC1=C(C(=C2C=CC3=CC=CC=C3C2=C1)NC(C)C)C

CAS RN: 376634-04-7
CAS Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid; 6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
OPENEYE Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methyl-propanoic acid; 6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
IUPAC Name: 2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid; 6-chloro-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
SYSTEMATIC NAME: 2-azanyl-3-[3,4-bis(oxidanyl)phenyl]-2-methyl-propanoic acid; 6-chloranyl-1,1-bis(oxidanylidene)-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide
MOLECULAR FORMULA: C17H19ClN4O8S2
MOLECULAR WEIGHT: 506.93776
SMILES: CC(CC1=CC(=C(C=C1)O)O)(C(=O)O)N.C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2

CAS RN: 108545-02-4
CAS Name: 3,5-dichloro-4-ethyl-2,6-dimethoxyphenol
OPENEYE Name: 3,5-dichloro-4-ethyl-2,6-dimethoxy-phenol
IUPAC Name: 3,5-dichloro-4-ethyl-2,6-dimethoxyphenol
SYSTEMATIC NAME: 3,5-bis(chloranyl)-4-ethyl-2,6-dimethoxy-phenol
MOLECULAR FORMULA: C10H12Cl2O3
MOLECULAR WEIGHT: 251.10648
SMILES: CCC1=C(C(=C(C(=C1Cl)OC)O)OC)Cl

CAS RN: 14867-54-0
CAS Name: gadolinium-152
OPENEYE Name: gadolinium-152
IUPAC Name: gadolinium-152
SYSTEMATIC NAME: gadolinium-152
MOLECULAR FORMULA: Gd
MOLECULAR WEIGHT: 151.919788
SMILES: [152Gd]

CAS RN: 40217-92-3
CAS Name: trihexyltin
OPENEYE Name: trihexyltin
IUPAC Name: trihexyltin
SYSTEMATIC NAME: trihexyltin
MOLECULAR FORMULA: C36H78Sn2
MOLECULAR WEIGHT: 748.42452
SMILES: CCCCCC[Sn](CCCCCC)CCCCCC.CCCCCC[Sn](CCCCCC)CCCCCC

CAS RN: 108140-19-8
CAS Name: 1,3,3,5-tetrachlorodecane
OPENEYE Name: 1,3,3,5-tetrachlorodecane
IUPAC Name: 1,3,3,5-tetrachlorodecane
SYSTEMATIC NAME: 1,3,3,5-tetrakis(chloranyl)decane
MOLECULAR FORMULA: C10H18Cl4
MOLECULAR WEIGHT: 280.06192
SMILES: CCCCCC(CC(CCCl)(Cl)Cl)Cl

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