[(1S,2S)-2-(phenylsulfanylmethyl)cyclopentyl] 4-methylbenzenesulfonate

Systemtic Name: [(1S,2S)-2-(phenylsulfanylmethyl)cyclopentyl] 4-methylbenzenesulfonate Openeye Name: [(1S,2S)-2-(phenylsulfanylmethyl)cyclopentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-[(phenylthio)methyl]cyclopentyl] ester IUPAC Name: [(1S,2S)-2-(phenylsulfanylmethyl)cyclopentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(1S,2S)-2-[(phenylthio)methyl]cyclopentyl] ester Formula: C19H22O3S2 MolecularWeight: 362.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC2CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CCC[C@@H]2CSC3=CC=CC=C3

InChI

InChI=1S/C19H22O3S2/c1-15-10-12-18(13-11-15)24(20,21)22-19-9-5-6-16(19)14-23-17-7-3-2-4-8-17/h2-4,7-8,10-13,16,19H,5-6,9,14H2,1H3/t16-,19+/m1/s1