[2-(4,4-dimethylcyclohexyl)-2-oxidanylidene-ethyl] benzenesulfonate

Systemtic Name: [2-(4,4-dimethylcyclohexyl)-2-oxidanylidene-ethyl] benzenesulfonate Openeye Name: [2-(4,4-dimethylcyclohexyl)-2-oxo-ethyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(4,4-dimethylcyclohexyl)-2-oxoethyl] ester IUPAC Name: [2-(4,4-dimethylcyclohexyl)-2-oxoethyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(4,4-dimethylcyclohexyl)-2-keto-ethyl] ester Formula: C16H22O4S MolecularWeight: 310.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C(=O)COS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CC1(CCC(CC1)C(=O)COS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H22O4S/c1-16(2)10-8-13(9-11-16)15(17)12-20-21(18,19)14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3