2-[(1S,2R)-2-chloranylcyclohexyl]sulfanylbenzoic acid

Systemtic Name: 2-[(1S,2R)-2-chloranylcyclohexyl]sulfanylbenzoic acid Openeye Name: 2-[(1S,2R)-2-chlorocyclohexyl]sulfanylbenzoic acid CAS Name: 2-[[(1S,2R)-2-chlorocyclohexyl]thio]benzoic acid IUPAC Name: 2-[(1S,2R)-2-chlorocyclohexyl]sulfanylbenzoic acid Traditional Name: 2-[[(1S,2R)-2-chlorocyclohexyl]thio]benzoic acid Formula: C13H15ClO2S MolecularWeight: 270.775

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)SC2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

C1CC[C@H]([C@H](C1)SC2=CC=CC=C2C(=O)O)Cl

InChI

InChI=1S/C13H15ClO2S/c14-10-6-2-4-8-12(10)17-11-7-3-1-5-9(11)13(15)16/h1,3,5,7,10,12H,2,4,6,8H2,(H,15,16)/t10-,12+/m1/s1