4-methyl-2-[(phenylmethylsulfanyl)methyl]pentanoate

Systemtic Name: 4-methyl-2-[(phenylmethylsulfanyl)methyl]pentanoate Openeye Name: 2-(benzylsulfanylmethyl)-4-methyl-pentanoate CAS Name: 4-methyl-2-[(phenylmethylthio)methyl]pentanoate IUPAC Name: 2-(benzylsulfanylmethyl)-4-methylpentanoate Traditional Name: 2-[(benzylthio)methyl]-4-methyl-valerate Formula: C14H19O2S- MolecularWeight: 251.36446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CSCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)CC(CSCC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C14H20O2S/c1-11(2)8-13(14(15)16)10-17-9-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,15,16)/p-1