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

Systemtic Name: [2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate Openeye Name: [2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2,3,4-trimethoxyphenyl)cycloheptyl] ester IUPAC Name: [2-(2,3,4-trimethoxyphenyl)cycloheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2,3,4-trimethoxyphenyl)cycloheptyl] ester Formula: C23H30O6S MolecularWeight: 434.5457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30O6S/c1-16-10-12-17(13-11-16)30(24,25)29-20-9-7-5-6-8-18(20)19-14-15-21(26-2)23(28-4)22(19)27-3/h10-15,18,20H,5-9H2,1-4H3