4-[(1S,2S)-2-methyl-2-oxidanyl-cyclohexyl]sulfanylbenzoic acid

Systemtic Name: 4-[(1S,2S)-2-methyl-2-oxidanyl-cyclohexyl]sulfanylbenzoic acid Openeye Name: 4-[(1S,2S)-2-hydroxy-2-methyl-cyclohexyl]sulfanylbenzoic acid CAS Name: 4-[[(1S,2S)-2-hydroxy-2-methylcyclohexyl]thio]benzoic acid IUPAC Name: 4-[(1S,2S)-2-hydroxy-2-methylcyclohexyl]sulfanylbenzoic acid Traditional Name: 4-[[(1S,2S)-2-hydroxy-2-methyl-cyclohexyl]thio]benzoic acid Formula: C14H18O3S MolecularWeight: 266.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCCC1SC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

C[C@@]1(CCCC[C@@H]1SC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C14H18O3S/c1-14(17)9-3-2-4-12(14)18-11-7-5-10(6-8-11)13(15)16/h5-8,12,17H,2-4,9H2,1H3,(H,15,16)/t12-,14-/m0/s1