sulfanyl 2-[(4-methylphenyl)methyl]pentanoate

Systemtic Name: sulfanyl 2-[(4-methylphenyl)methyl]pentanoate Openeye Name: sulfanyl 2-(p-tolylmethyl)pentanoate CAS Name: 2-[(4-methylphenyl)methyl]pentanoic acid mercapto ester IUPAC Name: sulfanyl 2-[(4-methylphenyl)methyl]pentanoate Traditional Name: 2-(4-methylbenzyl)valeric acid mercapto ester Formula: C13H18O2S MolecularWeight: 238.34582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C)C(=O)OS

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C)C(=O)OS

InChI

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