(4-tert-butylcyclohexyl) 4-butan-2-ylbenzenesulfonate

Systemtic Name: (4-tert-butylcyclohexyl) 4-butan-2-ylbenzenesulfonate Openeye Name: (4-tert-butylcyclohexyl) 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid (4-tert-butylcyclohexyl) ester Formula: C20H32O3S MolecularWeight: 352.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)C(C)(C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2CCC(CC2)C(C)(C)C

InChI

InChI=1S/C20H32O3S/c1-6-15(2)16-7-13-19(14-8-16)24(21,22)23-18-11-9-17(10-12-18)20(3,4)5/h7-8,13-15,17-18H,6,9-12H2,1-5H3