[(6S)-6-oxidanyl-6-phenyl-heptyl] 4-methylbenzenesulfonate

Systemtic Name: [(6S)-6-oxidanyl-6-phenyl-heptyl] 4-methylbenzenesulfonate Openeye Name: [(6S)-6-hydroxy-6-phenyl-heptyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(6S)-6-hydroxy-6-phenylheptyl] ester IUPAC Name: [(6S)-6-hydroxy-6-phenylheptyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(6S)-6-hydroxy-6-phenyl-heptyl] ester Formula: C20H26O4S MolecularWeight: 362.48304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC(C)(C2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC[C@@](C)(C2=CC=CC=C2)O

InChI

InChI=1S/C20H26O4S/c1-17-11-13-19(14-12-17)25(22,23)24-16-8-4-7-15-20(2,21)18-9-5-3-6-10-18/h3,5-6,9-14,21H,4,7-8,15-16H2,1-2H3/t20-/m0/s1