Wednesday, May 30, 2012

http://ChemLookup.com Compounds




CAS RN: 4444-90-0
CAS Name: 1-thiophen-2-yl-1-octadecanone
OPENEYE Name: 1-(2-thienyl)octadecan-1-one
IUPAC Name: 1-thiophen-2-yloctadecan-1-one
SYSTEMATIC NAME: 1-thiophen-2-yloctadecan-1-one
MOLECULAR FORMULA: C22H38OS
MOLECULAR WEIGHT: 350.60152
SMILES: CCCCCCCCCCCCCCCCCC(=O)C1=CC=CS1
Structure:

CAS RN: 79113-87-4
CAS Name: 4-methylbenzenesulfonic acid [2-(4-methylphenyl)sulfonyloxyphenyl] ester
OPENEYE Name: [2-(p-tolylsulfonyloxy)phenyl] 4-methylbenzenesulfonate
IUPAC Name: [2-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2-(4-methylphenyl)sulfonyloxyphenyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C20H18O6S2
MOLECULAR WEIGHT: 418.48332
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2OS(=O)(=O)C3=CC=C(C=C3)C
Structure:

CAS RN: 64630-19-9
CAS Name: 1-[butoxy(3-dibutoxyphosphorylpropyl)phosphoryl]oxybutane
OPENEYE Name: 1-[butoxy(3-dibutoxyphosphorylpropyl)phosphoryl]oxybutane
IUPAC Name: 1-[butoxy(3-dibutoxyphosphorylpropyl)phosphoryl]oxybutane
SYSTEMATIC NAME: 1-[butoxy(3-dibutoxyphosphorylpropyl)phosphoryl]oxybutane
MOLECULAR FORMULA: C19H42O6P2
MOLECULAR WEIGHT: 428.480702
SMILES: CCCCOP(=O)(CCCP(=O)(OCCCC)OCCCC)OCCCC
Structure:

CAS RN: 27091-81-2
CAS Name: 2-(diaminomethylideneamino)oxyacetic acid
OPENEYE Name: 2-guanidinooxyacetic acid
IUPAC Name: 2-(diaminomethylideneamino)oxyacetic acid
SYSTEMATIC NAME: 2-[bis(azanyl)methylideneamino]oxyethanoic acid
MOLECULAR FORMULA: C3H7N3O3
MOLECULAR WEIGHT: 133.10598
SMILES: C(C(=O)O)ON=C(N)N
Structure:

CAS RN: 6412-99-3
CAS Name: propanoic acid 1-(1,3-benzodioxol-5-yl)butyl ester
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)butyl propanoate
IUPAC Name: 1-(1,3-benzodioxol-5-yl)butyl propanoate
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)butyl propanoate
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CCCC(C1=CC2=C(C=C1)OCO2)OC(=O)CC
Structure:

CAS RN: 62346-98-9
CAS Name: acetic acid [3-(acetyloxymethyl)-4-methylphenyl]methyl ester
OPENEYE Name: [3-(acetoxymethyl)-4-methyl-phenyl]methyl acetate
IUPAC Name: [3-(acetyloxymethyl)-4-methylphenyl]methyl acetate
SYSTEMATIC NAME: [3-(acetyloxymethyl)-4-methyl-phenyl]methyl ethanoate
MOLECULAR FORMULA: C13H16O4
MOLECULAR WEIGHT: 236.26374
SMILES: CC1=C(C=C(C=C1)COC(=O)C)COC(=O)C
Structure:

CAS RN: 87103-12-6
CAS Name: 1-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene
OPENEYE Name: 1-(methoxymethyl)-4-(1,1,3,3-tetramethylbutyl)benzene
IUPAC Name: 1-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene
SYSTEMATIC NAME: 1-(methoxymethyl)-4-(2,4,4-trimethylpentan-2-yl)benzene
MOLECULAR FORMULA: C16H26O
MOLECULAR WEIGHT: 234.37704
SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)COC
Structure:

CAS RN: 1112-47-6
CAS Name: 2-(hydroxymethyl)-2-methylbutanal
OPENEYE Name: 2-(hydroxymethyl)-2-methyl-butanal
IUPAC Name: 2-(hydroxymethyl)-2-methylbutanal
SYSTEMATIC NAME: 2-(hydroxymethyl)-2-methyl-butanal
MOLECULAR FORMULA: C6H12O2
MOLECULAR WEIGHT: 116.15828
SMILES: CCC(C)(CO)C=O
Structure:

CAS RN: 6413-59-8
CAS Name: 4,6-dimethyl-2-(2-phenylethenyl)-1,3-dioxane
OPENEYE Name: 4,6-dimethyl-2-styryl-1,3-dioxane
IUPAC Name: 4,6-dimethyl-2-(2-phenylethenyl)-1,3-dioxane
SYSTEMATIC NAME: 4,6-dimethyl-2-(2-phenylethenyl)-1,3-dioxane
MOLECULAR FORMULA: C14H18O2
MOLECULAR WEIGHT: 218.29152
SMILES: CC1CC(OC(O1)C=CC2=CC=CC=C2)C
Structure:

CAS RN: 6413-70-3
CAS Name: 2-nonyl-1,3-dioxane
OPENEYE Name: 2-nonyl-1,3-dioxane
IUPAC Name: 2-nonyl-1,3-dioxane
SYSTEMATIC NAME: 2-nonyl-1,3-dioxane
MOLECULAR FORMULA: C13H26O2
MOLECULAR WEIGHT: 214.34434
SMILES: CCCCCCCCCC1OCCCO1
Structure:

CAS RN: 6413-66-7
CAS Name: 2-(2-chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
OPENEYE Name: 2-(2-chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
IUPAC Name: 2-(2-chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
SYSTEMATIC NAME: 2-(2-chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
MOLECULAR FORMULA: C13H17ClO2
MOLECULAR WEIGHT: 240.72588
SMILES: CC1CC(OC(O1)C2=CC=CC=C2Cl)(C)C
Structure:

CAS RN: 7554-84-9
CAS Name: 2-[(2-naphthalenylamino)-oxomethyl]benzoic acid
OPENEYE Name: 2-(2-naphthylcarbamoyl)benzoic acid
IUPAC Name: 2-(naphthalen-2-ylcarbamoyl)benzoic acid
SYSTEMATIC NAME: 2-(naphthalen-2-ylcarbamoyl)benzoic acid
MOLECULAR FORMULA: C18H13NO3
MOLECULAR WEIGHT: 291.30072
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC=CC=C3C(=O)O
Structure:

CAS RN: 1024-64-2
CAS Name: (2-methylphenyl)-(2,4,6-trimethylphenyl)methanone
OPENEYE Name: o-tolyl-(2,4,6-trimethylphenyl)methanone
IUPAC Name: (2-methylphenyl)-(2,4,6-trimethylphenyl)methanone
SYSTEMATIC NAME: (2-methylphenyl)-(2,4,6-trimethylphenyl)methanone
MOLECULAR FORMULA: C17H18O
MOLECULAR WEIGHT: 238.32422
SMILES: CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2C)C)C
Structure:

CAS RN: 2509-46-8
CAS Name: 3-methyl-2-[oxo-(2,4,6-trimethylphenyl)methyl]benzoic acid
OPENEYE Name: 3-methyl-2-(2,4,6-trimethylbenzoyl)benzoic acid
IUPAC Name: 3-methyl-2-(2,4,6-trimethylbenzoyl)benzoic acid
SYSTEMATIC NAME: 3-methyl-2-(2,4,6-trimethylphenyl)carbonyl-benzoic acid
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: CC1=CC=CC(=C1C(=O)C2=C(C=C(C=C2C)C)C)C(=O)O
Structure:

CAS RN: 2346-68-1
CAS Name: 2-methyl-6-[oxo-(2,4,6-trimethylphenyl)methyl]benzoic acid
OPENEYE Name: 2-methyl-6-(2,4,6-trimethylbenzoyl)benzoic acid
IUPAC Name: 2-methyl-6-(2,4,6-trimethylbenzoyl)benzoic acid
SYSTEMATIC NAME: 2-methyl-6-(2,4,6-trimethylphenyl)carbonyl-benzoic acid
MOLECULAR FORMULA: C18H18O3
MOLECULAR WEIGHT: 282.33372
SMILES: CC1=CC=CC(=C1C(=O)O)C(=O)C2=C(C=C(C=C2C)C)C
Structure:

CAS RN: 2346-66-9
CAS Name: 2-[(2,4-dimethylphenyl)-oxomethyl]-3-methylbenzoic acid
OPENEYE Name: 2-(2,4-dimethylbenzoyl)-3-methyl-benzoic acid
IUPAC Name: 2-(2,4-dimethylbenzoyl)-3-methylbenzoic acid
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)carbonyl-3-methyl-benzoic acid
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: CC1=CC(=C(C=C1)C(=O)C2=C(C=CC=C2C)C(=O)O)C
Structure:

CAS RN: 13152-95-9
CAS Name: (2,4-dimethylphenyl)-(3-methylphenyl)methanone
OPENEYE Name: (2,4-dimethylphenyl)-(m-tolyl)methanone
IUPAC Name: (2,4-dimethylphenyl)-(3-methylphenyl)methanone
SYSTEMATIC NAME: (2,4-dimethylphenyl)-(3-methylphenyl)methanone
MOLECULAR FORMULA: C16H16O
MOLECULAR WEIGHT: 224.29764
SMILES: CC1=CC(=C(C=C1)C(=O)C2=CC(=CC=C2)C)C
Structure:

CAS RN: 2346-64-7
CAS Name: 2-[(2,4-dimethylphenyl)-oxomethyl]-6-methylbenzoic acid
OPENEYE Name: 2-(2,4-dimethylbenzoyl)-6-methyl-benzoic acid
IUPAC Name: 2-(2,4-dimethylbenzoyl)-6-methylbenzoic acid
SYSTEMATIC NAME: 2-(2,4-dimethylphenyl)carbonyl-6-methyl-benzoic acid
MOLECULAR FORMULA: C17H16O3
MOLECULAR WEIGHT: 268.30714
SMILES: CC1=CC(=C(C=C1)C(=O)C2=C(C(=CC=C2)C)C(=O)O)C
Structure:

CAS RN: 70862-29-2
CAS Name: 2-(2,4-dinitrophenyl)-4-methyl-1,3,5-trinitrobenzene
OPENEYE Name: 2-(2,4-dinitrophenyl)-4-methyl-1,3,5-trinitro-benzene
IUPAC Name: 2-(2,4-dinitrophenyl)-4-methyl-1,3,5-trinitrobenzene
SYSTEMATIC NAME: 2-(2,4-dinitrophenyl)-4-methyl-1,3,5-trinitro-benzene
MOLECULAR FORMULA: C13H7N5O10
MOLECULAR WEIGHT: 393.22218
SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 29704-38-9
CAS Name: 2-(4-nitrophenyl)acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(4-nitrophenyl)acetate
IUPAC Name: tert-butyl 2-(4-nitrophenyl)acetate
SYSTEMATIC NAME: tert-butyl 2-(4-nitrophenyl)ethanoate
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CC(C)(C)OC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]
Structure:

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