(3-cyclohexyl-3-methyl-2-oxidanylidene-butyl) 4-methylbenzenesulfonate

Systemtic Name: (3-cyclohexyl-3-methyl-2-oxidanylidene-butyl) 4-methylbenzenesulfonate Openeye Name: (3-cyclohexyl-3-methyl-2-oxo-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-cyclohexyl-3-methyl-2-oxobutyl) ester IUPAC Name: (3-cyclohexyl-3-methyl-2-oxobutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-cyclohexyl-2-keto-3-methyl-butyl) ester Formula: C18H26O4S MolecularWeight: 338.46164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C(C)(C)C2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C(C)(C)C2CCCCC2

InChI

InChI=1S/C18H26O4S/c1-14-9-11-16(12-10-14)23(20,21)22-13-17(19)18(2,3)15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3