[(1R,2R)-2-butylsulfanylcyclohexyl] 4-chloranylbenzoate

Systemtic Name: [(1R,2R)-2-butylsulfanylcyclohexyl] 4-chloranylbenzoate Openeye Name: [(1R,2R)-2-butylsulfanylcyclohexyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(1R,2R)-2-(butylthio)cyclohexyl] ester IUPAC Name: [(1R,2R)-2-butylsulfanylcyclohexyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1R,2R)-2-(butylthio)cyclohexyl] ester Formula: C17H23ClO2S MolecularWeight: 326.88132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1CCCCC1OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCS[C@@H]1CCCC[C@H]1OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H23ClO2S/c1-2-3-12-21-16-7-5-4-6-15(16)20-17(19)13-8-10-14(18)11-9-13/h8-11,15-16H,2-7,12H2,1H3/t15-,16-/m1/s1