Wednesday, June 6, 2012

http://ChemLookup.com Compounds




CAS RN: 7464-30-4
CAS Name: acetic acid (5,6-diacetyloxy-7-methyl-1,3-dioxepan-4-yl)methyl ester
OPENEYE Name: (5,6-diacetoxy-7-methyl-1,3-dioxepan-4-yl)methyl acetate
IUPAC Name: (5,6-diacetyloxy-7-methyl-1,3-dioxepan-4-yl)methyl acetate
SYSTEMATIC NAME: (5,6-diacetyloxy-7-methyl-1,3-dioxepan-4-yl)methyl ethanoate
MOLECULAR FORMULA: C13H20O8
MOLECULAR WEIGHT: 304.2931
SMILES: CC1C(C(C(OCO1)COC(=O)C)OC(=O)C)OC(=O)C
Structure:

CAS RN: 7508-70-5
CAS Name: acetic acid [4,6-bis(1,3-dioxolan-4-yl)-1,3-dioxan-5-yl] ester
OPENEYE Name: [4,6-bis(1,3-dioxolan-4-yl)-1,3-dioxan-5-yl] acetate
IUPAC Name: [4,6-bis(1,3-dioxolan-4-yl)-1,3-dioxan-5-yl] acetate
SYSTEMATIC NAME: [4,6-bis(1,3-dioxolan-4-yl)-1,3-dioxan-5-yl] ethanoate
MOLECULAR FORMULA: C12H18O8
MOLECULAR WEIGHT: 290.26652
SMILES: CC(=O)OC1C(OCOC1C2COCO2)C3COCO3
Structure:

CAS RN: 7464-29-1
CAS Name: 4-(1,3-dioxolan-4-yl)-5-[5-(1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolane
OPENEYE Name: 4-(1,3-dioxolan-4-yl)-5-[5-(1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolane
IUPAC Name: 4-(1,3-dioxolan-4-yl)-5-[5-(1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolane
SYSTEMATIC NAME: 4-(1,3-dioxolan-4-yl)-5-[5-(1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolane
MOLECULAR FORMULA: C12H18O8
MOLECULAR WEIGHT: 290.26652
SMILES: C1C(OCO1)C2C(OCO2)C3C(OCO3)C4COCO4
Structure:

CAS RN: 7465-81-8
CAS Name: 6,6-bis(ethylsulfonyl)hexane-1,2,3,4,5-pentol
OPENEYE Name: 6,6-bis(ethylsulfonyl)hexane-1,2,3,4,5-pentol
IUPAC Name: 6,6-bis(ethylsulfonyl)hexane-1,2,3,4,5-pentol
SYSTEMATIC NAME: 6,6-bis(ethylsulfonyl)hexane-1,2,3,4,5-pentol
MOLECULAR FORMULA: C10H22O9S2
MOLECULAR WEIGHT: 350.40628
SMILES: CCS(=O)(=O)C(C(C(C(C(CO)O)O)O)O)S(=O)(=O)CC
Structure:

CAS RN: 7464-27-9
CAS Name: acetic acid [5-(5-methyl-1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]methyl ester
OPENEYE Name: [5-(5-methyl-1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]methyl acetate
IUPAC Name: [5-(5-methyl-1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]methyl acetate
SYSTEMATIC NAME: [5-(5-methyl-1,3-dioxolan-4-yl)-1,3-dioxolan-4-yl]methyl ethanoate
MOLECULAR FORMULA: C10H16O6
MOLECULAR WEIGHT: 232.23044
SMILES: CC1C(OCO1)C2C(OCO2)COC(=O)C
Structure:

CAS RN: 92643-35-1
CAS Name: 4-(benzenesulfonyl)butylbenzene
OPENEYE Name: 4-(benzenesulfonyl)butylbenzene
IUPAC Name: 4-(benzenesulfonyl)butylbenzene
SYSTEMATIC NAME: 4-(phenylsulfonyl)butylbenzene
MOLECULAR FORMULA: C16H18O2S
MOLECULAR WEIGHT: 274.37792
SMILES: C1=CC=C(C=C1)CCCCS(=O)(=O)C2=CC=CC=C2
Structure:

CAS RN: 82755-72-4
CAS Name: 1-phenyl-4-(phenylthio)-1-butanone
OPENEYE Name: 1-phenyl-4-phenylsulfanyl-butan-1-one
IUPAC Name: 1-phenyl-4-phenylsulfanylbutan-1-one
SYSTEMATIC NAME: 1-phenyl-4-phenylsulfanyl-butan-1-one
MOLECULAR FORMULA: C16H16OS
MOLECULAR WEIGHT: 256.36264
SMILES: C1=CC=C(C=C1)C(=O)CCCSC2=CC=CC=C2
Structure:

CAS RN: 41873-61-4
CAS Name: 2-(2-formylphenoxy)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-formylphenoxy)acetate
IUPAC Name: ethyl 2-(2-formylphenoxy)acetate
SYSTEMATIC NAME: ethyl 2-(2-methanoylphenoxy)ethanoate
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: CCOC(=O)COC1=CC=CC=C1C=O
Structure:

CAS RN: 70509-40-9
CAS Name: 4-(phenylthio)butanamide
OPENEYE Name: 4-phenylsulfanylbutanamide
IUPAC Name: 4-phenylsulfanylbutanamide
SYSTEMATIC NAME: 4-phenylsulfanylbutanamide
MOLECULAR FORMULA: C10H13NOS
MOLECULAR WEIGHT: 195.28132
SMILES: C1=CC=C(C=C1)SCCCC(=O)N
Structure:

CAS RN: 20500-27-0
CAS Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-ol
OPENEYE Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-ol
IUPAC Name: 2,3,4,5-tetrahydro-1-benzothiepin-5-ol
SYSTEMATIC NAME: 2,3,4,5-tetrahydro-1-benzothiepin-5-ol
MOLECULAR FORMULA: C10H12OS
MOLECULAR WEIGHT: 180.26668
SMILES: C1CC(C2=CC=CC=C2SC1)O
Structure:

CAS RN: 26524-87-8
CAS Name: 2,3,4,5-tetrahydro-1$l^{4}-benzothiepin 1-oxide
OPENEYE Name: 2,3,4,5-tetrahydro-1$l^{4}-benzothiepine 1-oxide
IUPAC Name: 2,3,4,5-tetrahydro-1$l^{4}-benzothiepine 1-oxide
SYSTEMATIC NAME: 2,3,4,5-tetrahydro-1$l^{4}-benzothiepine 1-oxide
MOLECULAR FORMULA: C10H12OS
MOLECULAR WEIGHT: 180.26668
SMILES: C1CCS(=O)C2=CC=CC=C2C1
Structure:

CAS RN: 21609-70-1
CAS Name: 3,4-dihydro-2H-1-benzothiepin-5-one
OPENEYE Name: 3,4-dihydro-2H-1-benzothiepin-5-one
IUPAC Name: 3,4-dihydro-2H-1-benzothiepin-5-one
SYSTEMATIC NAME: 3,4-dihydro-2H-1-benzothiepin-5-one
MOLECULAR FORMULA: C10H10OS
MOLECULAR WEIGHT: 178.2508
SMILES: C1CC(=O)C2=CC=CC=C2SC1
Structure:

CAS RN: 21609-67-6
CAS Name: 4-bromo-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one
OPENEYE Name: 4-bromo-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one
IUPAC Name: 4-bromo-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one
SYSTEMATIC NAME: 4-bromanyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-one
MOLECULAR FORMULA: C10H9BrO3S
MOLECULAR WEIGHT: 289.14566
SMILES: C1CS(=O)(=O)C2=CC=CC=C2C(=O)C1Br
Structure:

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