[2-[2-(3,5-ditert-butylphenyl)ethyl]cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[2-(3,5-ditert-butylphenyl)ethyl]cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [2-[2-(3,5-ditert-butylphenyl)ethyl]cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2-(3,5-ditert-butylphenyl)ethyl]cyclopentyl] ester IUPAC Name: [2-[2-(3,5-ditert-butylphenyl)ethyl]cyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-(3,5-ditert-butylphenyl)ethyl]cyclopentyl] ester Formula: C28H40O3S MolecularWeight: 456.6804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC2CCC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC2CCC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C28H40O3S/c1-20-11-15-25(16-12-20)32(29,30)31-26-10-8-9-22(26)14-13-21-17-23(27(2,3)4)19-24(18-21)28(5,6)7/h11-12,15-19,22,26H,8-10,13-14H2,1-7H3