[(1R,2R)-2-(4-chlorophenyl)sulfanylcyclohexyl] benzoate

Systemtic Name: [(1R,2R)-2-(4-chlorophenyl)sulfanylcyclohexyl] benzoate Openeye Name: [(1R,2R)-2-(4-chlorophenyl)sulfanylcyclohexyl] benzoate CAS Name: benzoic acid [(1R,2R)-2-[(4-chlorophenyl)thio]cyclohexyl] ester IUPAC Name: [(1R,2R)-2-(4-chlorophenyl)sulfanylcyclohexyl] benzoate Traditional Name: benzoic acid [(1R,2R)-2-[(4-chlorophenyl)thio]cyclohexyl] ester Formula: C19H19ClO2S MolecularWeight: 346.87096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)OC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClO2S/c20-15-10-12-16(13-11-15)23-18-9-5-4-8-17(18)22-19(21)14-6-2-1-3-7-14/h1-3,6-7,10-13,17-18H,4-5,8-9H2/t17-,18-/m1/s1