2-[2-(phenylmethyl)-3-sulfanyl-propanoyl]oxyethanoic acid

Systemtic Name: 2-[2-(phenylmethyl)-3-sulfanyl-propanoyl]oxyethanoic acid Openeye Name: 2-(2-benzyl-3-sulfanyl-propanoyl)oxyacetic acid CAS Name: 2-[2-(mercaptomethyl)-1-oxo-3-phenylpropoxy]acetic acid IUPAC Name: 2-(2-benzyl-3-sulfanylpropanoyl)oxyacetic acid Traditional Name: 2-(2-benzyl-3-mercapto-propanoyl)oxyacetic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CS)C(=O)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC(CS)C(=O)OCC(=O)O

InChI

InChI=1S/C12H14O4S/c13-11(14)7-16-12(15)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)