2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl-methyl]sulfanylpropanoic acid

Systemtic Name: 2-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)sulfanyl-phenyl-methyl]sulfanylpropanoic acid Openeye Name: 2-[(2-hydroxy-1-methyl-2-oxo-ethyl)sulfanyl-phenyl-methyl]sulfanylpropanoic acid CAS Name: 2-[[[(1-hydroxy-1-oxopropan-2-yl)thio]-phenylmethyl]thio]propanoic acid IUPAC Name: 2-[(1-hydroxy-1-oxopropan-2-yl)sulfanyl-phenylmethyl]sulfanylpropanoic acid Traditional Name: 2-[[[(2-hydroxy-2-keto-1-methyl-ethyl)thio]-phenyl-methyl]thio]propionic acid Formula: C13H16O4S2 MolecularWeight: 300.39374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC(C1=CC=CC=C1)SC(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)SC(C1=CC=CC=C1)SC(C)C(=O)O

InChI

InChI=1S/C13H16O4S2/c1-8(11(14)15)18-13(19-9(2)12(16)17)10-6-4-3-5-7-10/h3-9,13H,1-2H3,(H,14,15)(H,16,17)