2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-(p-tolylmethylsulfanyl)cyclohexyl]acetic acid CAS Name: 2-[1-[(4-methylphenyl)methylthio]cyclohexyl]acetic acid IUPAC Name: 2-[1-[(4-methylphenyl)methylsulfanyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[(4-methylbenzyl)thio]cyclohexyl]acetic acid Formula: C16H22O2S MolecularWeight: 278.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2(CCCCC2)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSC2(CCCCC2)CC(=O)O

InChI

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