2-(phenylmethyl)-3-sulfanyl-butanoic acid

Systemtic Name: 2-(phenylmethyl)-3-sulfanyl-butanoic acid Openeye Name: 2-benzyl-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-2-(phenylmethyl)butanoic acid IUPAC Name: 2-benzyl-3-sulfanylbutanoic acid Traditional Name: 2-benzyl-3-mercapto-butyric acid Formula: C11H14O2S MolecularWeight: 210.29266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O2S/c1-8(14)10(11(12)13)7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,12,13)