[3-oxidanyl-3-(1-phenylsulfanylcyclohexyl)propyl] benzoate

Systemtic Name: [3-oxidanyl-3-(1-phenylsulfanylcyclohexyl)propyl] benzoate Openeye Name: [3-hydroxy-3-(1-phenylsulfanylcyclohexyl)propyl] benzoate CAS Name: benzoic acid [3-hydroxy-3-[1-(phenylthio)cyclohexyl]propyl] ester IUPAC Name: [3-hydroxy-3-(1-phenylsulfanylcyclohexyl)propyl] benzoate Traditional Name: benzoic acid [3-hydroxy-3-[1-(phenylthio)cyclohexyl]propyl] ester Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(CCOC(=O)C2=CC=CC=C2)O)SC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)(C(CCOC(=O)C2=CC=CC=C2)O)SC3=CC=CC=C3

InChI

InChI=1S/C22H26O3S/c23-20(14-17-25-21(24)18-10-4-1-5-11-18)22(15-8-3-9-16-22)26-19-12-6-2-7-13-19/h1-2,4-7,10-13,20,23H,3,8-9,14-17H2