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

Systemtic Name: 2-(phenylmethyl)-3-sulfanyl-butanedioic acid Openeye Name: 2-benzyl-3-sulfanyl-butanedioic acid CAS Name: 2-mercapto-3-(phenylmethyl)butanedioic acid IUPAC Name: 2-benzyl-3-sulfanylbutanedioic acid Traditional Name: 2-benzyl-3-mercapto-succinic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O4S/c12-10(13)8(9(16)11(14)15)6-7-4-2-1-3-5-7/h1-5,8-9,16H,6H2,(H,12,13)(H,14,15)