[6-oxidanyl-6-(1-phenylsulfanylcyclohexyl)hexyl] 4-methylbenzenesulfonate

Systemtic Name: [6-oxidanyl-6-(1-phenylsulfanylcyclohexyl)hexyl] 4-methylbenzenesulfonate Openeye Name: [6-hydroxy-6-(1-phenylsulfanylcyclohexyl)hexyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [6-hydroxy-6-[1-(phenylthio)cyclohexyl]hexyl] ester IUPAC Name: [6-hydroxy-6-(1-phenylsulfanylcyclohexyl)hexyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [6-hydroxy-6-[1-(phenylthio)cyclohexyl]hexyl] ester Formula: C25H34O4S2 MolecularWeight: 462.66506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC(C2(CCCCC2)SC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC(C2(CCCCC2)SC3=CC=CC=C3)O

InChI

InChI=1S/C25H34O4S2/c1-21-14-16-23(17-15-21)31(27,28)29-20-10-3-7-13-24(26)25(18-8-4-9-19-25)30-22-11-5-2-6-12-22/h2,5-6,11-12,14-17,24,26H,3-4,7-10,13,18-20H2,1H3