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

Systemtic Name: [2-(2,3-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [2-(2,3-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,3-dimethoxyphenyl)cyclohexyl] ester IUPAC Name: [2-(2,3-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,3-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=C(C(=CC=C3)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26O5S/c1-15-11-13-16(14-12-15)27(22,23)26-19-9-5-4-7-17(19)18-8-6-10-20(24-2)21(18)25-3/h6,8,10-14,17,19H,4-5,7,9H2,1-3H3