(4-cyclohexyl-4-methyl-2-oxidanylidene-pentyl) benzenesulfonate

Systemtic Name: (4-cyclohexyl-4-methyl-2-oxidanylidene-pentyl) benzenesulfonate Openeye Name: (4-cyclohexyl-4-methyl-2-oxo-pentyl) benzenesulfonate CAS Name: benzenesulfonic acid (4-cyclohexyl-4-methyl-2-oxopentyl) ester IUPAC Name: (4-cyclohexyl-4-methyl-2-oxopentyl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-cyclohexyl-2-keto-4-methyl-pentyl) ester Formula: C18H26O4S MolecularWeight: 338.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)COS(=O)(=O)C1=CC=CC=C1)C2CCCCC2

Isomeric SMILES

CC(C)(CC(=O)COS(=O)(=O)C1=CC=CC=C1)C2CCCCC2

InChI

InChI=1S/C18H26O4S/c1-18(2,15-9-5-3-6-10-15)13-16(19)14-22-23(20,21)17-11-7-4-8-12-17/h4,7-8,11-12,15H,3,5-6,9-10,13-14H2,1-2H3