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

Systemtic Name: [2-(2,3-dimethoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate Openeye Name: [2-(2,3-dimethoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,3-dimethoxyphenyl)cycloheptyl] ester IUPAC Name: [2-(2,3-dimethoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,3-dimethoxyphenyl)cycloheptyl] ester Formula: C22H28O5S MolecularWeight: 404.51972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCC2C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCC2C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C22H28O5S/c1-16-12-14-17(15-13-16)28(23,24)27-20-10-6-4-5-8-18(20)19-9-7-11-21(25-2)22(19)26-3/h7,9,11-15,18,20H,4-6,8,10H2,1-3H3