5-[(4-methylphenyl)methylsulfanyl]pentanoic acid

Systemtic Name: 5-[(4-methylphenyl)methylsulfanyl]pentanoic acid Openeye Name: 5-(p-tolylmethylsulfanyl)pentanoic acid CAS Name: 5-[(4-methylphenyl)methylthio]pentanoic acid IUPAC Name: 5-[(4-methylphenyl)methylsulfanyl]pentanoic acid Traditional Name: 5-[(4-methylbenzyl)thio]valeric acid Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSCCCCC(=O)O

InChI

InChI=1S/C13H18O2S/c1-11-5-7-12(8-6-11)10-16-9-3-2-4-13(14)15/h5-8H,2-4,9-10H2,1H3,(H,14,15)