[2-(2,5-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(2,5-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [2-(2,5-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,5-dimethoxyphenyl)cyclohexyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,5-dimethoxyphenyl)cyclohexyl] ester Formula: C21H26O5S MolecularWeight: 390.49314

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