4-methoxy-3-(methylsulfanylmethyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-methoxy-3-(methylsulfanylmethyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-methoxy-3-(methylsulfanylmethyl)-4-oxo-butanoic acid CAS Name: 4-methoxy-3-[(methylthio)methyl]-4-oxobutanoic acid IUPAC Name: 4-methoxy-3-(methylsulfanylmethyl)-4-oxobutanoic acid Traditional Name: 4-keto-4-methoxy-3-[(methylthio)methyl]butyric acid Formula: C7H12O4S MolecularWeight: 192.23278

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(=O)O)CSC

Isomeric SMILES

COC(=O)C(CC(=O)O)CSC

InChI

InChI=1S/C7H12O4S/c1-11-7(10)5(4-12-2)3-6(8)9/h5H,3-4H2,1-2H3,(H,8,9)