4-[(1S,2S)-2-oxidanylcyclohexyl]sulfanylbenzoic acid

Systemtic Name: 4-[(1S,2S)-2-oxidanylcyclohexyl]sulfanylbenzoic acid Openeye Name: 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylbenzoic acid CAS Name: 4-[[(1S,2S)-2-hydroxycyclohexyl]thio]benzoic acid IUPAC Name: 4-[(1S,2S)-2-hydroxycyclohexyl]sulfanylbenzoic acid Traditional Name: 4-[[(1S,2S)-2-hydroxycyclohexyl]thio]benzoic acid Formula: C13H16O3S MolecularWeight: 252.32934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)O)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)O)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H16O3S/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h5-8,11-12,14H,1-4H2,(H,15,16)/t11-,12-/m0/s1