4-(4-methoxyphenyl)-2-methylsulfanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-methoxyphenyl)-2-methylsulfanyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-methoxyphenyl)-2-methylsulfanyl-4-oxo-butanoic acid CAS Name: 4-(4-methoxyphenyl)-2-(methylthio)-4-oxobutanoic acid IUPAC Name: 4-(4-methoxyphenyl)-2-methylsulfanyl-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-methoxyphenyl)-2-(methylthio)butyric acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O4S/c1-16-9-5-3-8(4-6-9)10(13)7-11(17-2)12(14)15/h3-6,11H,7H2,1-2H3,(H,14,15)