4-(2-methoxy-4-sulfanyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2-methoxy-4-sulfanyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methoxy-4-sulfanyl-phenyl)-4-oxo-butanoic acid CAS Name: 4-(4-mercapto-2-methoxyphenyl)-4-oxobutanoic acid IUPAC Name: 4-(2-methoxy-4-sulfanylphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(4-mercapto-2-methoxy-phenyl)butyric acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S)C(=O)CCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)S)C(=O)CCC(=O)O

InChI

InChI=1S/C11H12O4S/c1-15-10-6-7(16)2-3-8(10)9(12)4-5-11(13)14/h2-3,6,16H,4-5H2,1H3,(H,13,14)