1-[(phenylmethylsulfanyl)methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(phenylmethylsulfanyl)methyl]cyclohexane-1-carboxylic acid Openeye Name: 1-(benzylsulfanylmethyl)cyclohexanecarboxylic acid CAS Name: 1-[(phenylmethylthio)methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-(benzylsulfanylmethyl)cyclohexane-1-carboxylic acid Traditional Name: 1-[(benzylthio)methyl]cyclohexanecarboxylic acid Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C15H20O2S/c16-14(17)15(9-5-2-6-10-15)12-18-11-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,16,17)