2-[3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-3-phenyl-propoxy]ethanoate

Systemtic Name: 2-[3-(2-oxidanidyl-2-oxidanylidene-ethyl)sulfanyl-2-oxidanyl-3-phenyl-propoxy]ethanoate Openeye Name: 2-[2-hydroxy-3-(2-oxido-2-oxo-ethyl)sulfanyl-3-phenyl-propoxy]acetate CAS Name: 2-[2-hydroxy-3-[(2-oxido-2-oxoethyl)thio]-3-phenylpropoxy]acetate IUPAC Name: 2-[2-hydroxy-3-(2-oxido-2-oxoethyl)sulfanyl-3-phenylpropoxy]acetate Traditional Name: 2-[2-hydroxy-3-[(2-keto-2-oxido-ethyl)thio]-3-phenyl-propoxy]acetate Formula: C13H14O6S-2 MolecularWeight: 298.31166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(COCC(=O)[O-])O)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(COCC(=O)[O-])O)SCC(=O)[O-]

InChI

InChI=1S/C13H16O6S/c14-10(6-19-7-11(15)16)13(20-8-12(17)18)9-4-2-1-3-5-9/h1-5,10,13-14H,6-8H2,(H,15,16)(H,17,18)/p-2