3-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-(2,4-dimethoxyphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: 3-[2-(2,4-dimethoxyphenyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(2,4-dimethoxyphenyl)-2-oxoethyl]thio]propanoate IUPAC Name: 3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-(2,4-dimethoxyphenyl)-2-keto-ethyl]thio]propionate Formula: C13H15O5S- MolecularWeight: 283.3202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)CSCCC(=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)CSCCC(=O)[O-])OC

InChI

InChI=1S/C13H16O5S/c1-17-9-3-4-10(12(7-9)18-2)11(14)8-19-6-5-13(15)16/h3-4,7H,5-6,8H2,1-2H3,(H,15,16)/p-1