2-[(4-methylphenyl)methyl]-2-sulfanyl-pentanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2S/c1-3-8-13(16,12(14)15)9-11-6-4-10(2)5-7-11/h4-7,16H,3,8-9H2,1-2H3,(H,14,15)