methyl 3-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]propionic acid methyl ester Formula: C12H14O5S MolecularWeight: 270.30156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)C1=CC(=C(C=C1)O)O

Isomeric SMILES

COC(=O)CCSCC(=O)C1=CC(=C(C=C1)O)O

InChI

InChI=1S/C12H14O5S/c1-17-12(16)4-5-18-7-11(15)8-2-3-9(13)10(14)6-8/h2-3,6,13-14H,4-5,7H2,1H3