5-(4-methylphenyl)sulfanylpentanoate

Systemtic Name: 5-(4-methylphenyl)sulfanylpentanoate Openeye Name: 5-(p-tolylsulfanyl)pentanoate CAS Name: 5-[(4-methylphenyl)thio]pentanoate IUPAC Name: 5-(4-methylphenyl)sulfanylpentanoate Traditional Name: 5-(p-tolylthio)valerate Formula: C12H15O2S- MolecularWeight: 223.3113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCCCC(=O)[O-]

InChI

InChI=1S/C12H16O2S/c1-10-5-7-11(8-6-10)15-9-3-2-4-12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)/p-1