[(1R,2R)-2-[(3,5-ditert-butylphenyl)methyl]cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1R,2R)-2-[(3,5-ditert-butylphenyl)methyl]cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1R,2R)-2-[(3,5-ditert-butylphenyl)methyl]cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1R,2R)-2-[(3,5-ditert-butylphenyl)methyl]cyclopentyl] ester IUPAC Name: [(1R,2R)-2-[(3,5-ditert-butylphenyl)methyl]cyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1R,2R)-2-(3,5-ditert-butylbenzyl)cyclopentyl] ester Formula: C27H38O3S MolecularWeight: 442.65382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC2CC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@@H]2CCC[C@@H]2CC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C27H38O3S/c1-19-11-13-24(14-12-19)31(28,29)30-25-10-8-9-21(25)15-20-16-22(26(2,3)4)18-23(17-20)27(5,6)7/h11-14,16-18,21,25H,8-10,15H2,1-7H3/t21-,25-/m1/s1