ethyl 2-(4-methylphenyl)sulfonyl-8-methylsulfonyl-octanoate

Systemtic Name: ethyl 2-(4-methylphenyl)sulfonyl-8-methylsulfonyl-octanoate Openeye Name: ethyl 8-methylsulfonyl-2-(p-tolylsulfonyl)octanoate CAS Name: 2-(4-methylphenyl)sulfonyl-8-methylsulfonyloctanoic acid ethyl ester IUPAC Name: ethyl 2-(4-methylphenyl)sulfonyl-8-methylsulfonyloctanoate Traditional Name: 8-mesyl-2-tosyl-caprylic acid ethyl ester Formula: C18H28O6S2 MolecularWeight: 404.54132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCS(=O)(=O)C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)C(CCCCCCS(=O)(=O)C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H28O6S2/c1-4-24-18(19)17(9-7-5-6-8-14-25(3,20)21)26(22,23)16-12-10-15(2)11-13-16/h10-13,17H,4-9,14H2,1-3H3