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

Systemtic Name: (4-cyclohexyl-4-methyl-2-oxidanylidene-pentyl) 4-methylbenzenesulfonate Openeye Name: (4-cyclohexyl-4-methyl-2-oxo-pentyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-cyclohexyl-4-methyl-2-oxopentyl) ester IUPAC Name: (4-cyclohexyl-4-methyl-2-oxopentyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-cyclohexyl-2-keto-4-methyl-pentyl) ester Formula: C19H28O4S MolecularWeight: 352.48822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28O4S/c1-15-9-11-18(12-10-15)24(21,22)23-14-17(20)13-19(2,3)16-7-5-4-6-8-16/h9-12,16H,4-8,13-14H2,1-3H3