[2-(3,4-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(3,4-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [2-(3,4-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(3,4-dimethoxyphenyl)cyclohexyl] ester IUPAC Name: [2-(3,4-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(3,4-dimethoxyphenyl)cyclohexyl] ester Formula: C21H26O5S MolecularWeight: 390.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26O5S/c1-15-8-11-17(12-9-15)27(22,23)26-19-7-5-4-6-18(19)16-10-13-20(24-2)21(14-16)25-3/h8-14,18-19H,4-7H2,1-3H3