1-[(4-methylphenyl)methylsulfanylmethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(4-methylphenyl)methylsulfanylmethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-(p-tolylmethylsulfanylmethyl)cyclohexanecarboxylic acid CAS Name: 1-[[(4-methylphenyl)methylthio]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)methylsulfanylmethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[[(4-methylbenzyl)thio]methyl]cyclohexanecarboxylic acid Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC2(CCCCC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSCC2(CCCCC2)C(=O)O

InChI

InChI=1S/C16H22O2S/c1-13-5-7-14(8-6-13)11-19-12-16(15(17)18)9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3,(H,17,18)