3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]propionic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSCCC(=O)O

InChI

InChI=1S/C12H14O4S/c1-16-10-4-2-9(3-5-10)11(13)8-17-7-6-12(14)15/h2-5H,6-8H2,1H3,(H,14,15)