[2-(4-methoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(4-methoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate Openeye Name: [2-(4-methoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(4-methoxyphenyl)cycloheptyl] ester IUPAC Name: [2-(4-methoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(4-methoxyphenyl)cycloheptyl] ester Formula: C21H26O4S MolecularWeight: 374.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26O4S/c1-16-8-14-19(15-9-16)26(22,23)25-21-7-5-3-4-6-20(21)17-10-12-18(24-2)13-11-17/h8-15,20-21H,3-7H2,1-2H3