(2,5-ditert-butylcyclohexyl) 4-methylbenzenesulfonate

Systemtic Name: (2,5-ditert-butylcyclohexyl) 4-methylbenzenesulfonate Openeye Name: (2,5-ditert-butylcyclohexyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2,5-ditert-butylcyclohexyl) ester IUPAC Name: (2,5-ditert-butylcyclohexyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2,5-ditert-butylcyclohexyl) ester Formula: C21H34O3S MolecularWeight: 366.55786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CCC2C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CCC2C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C21H34O3S/c1-15-8-11-17(12-9-15)25(22,23)24-19-14-16(20(2,3)4)10-13-18(19)21(5,6)7/h8-9,11-12,16,18-19H,10,13-14H2,1-7H3