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

Systemtic Name: [2-(2,3,4-trimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Openeye Name: [2-(2,3,4-trimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,3,4-trimethoxyphenyl)cyclohexyl] ester IUPAC Name: [2-(2,3,4-trimethoxyphenyl)cyclohexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,3,4-trimethoxyphenyl)cyclohexyl] ester Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28O6S/c1-15-9-11-16(12-10-15)29(23,24)28-19-8-6-5-7-17(19)18-13-14-20(25-2)22(27-4)21(18)26-3/h9-14,17,19H,5-8H2,1-4H3