2-(5-methanoyl-2-methoxy-phenyl)-2-methylsulfanyl-ethanoic acid

Systemtic Name: 2-(5-methanoyl-2-methoxy-phenyl)-2-methylsulfanyl-ethanoic acid Openeye Name: 2-(5-formyl-2-methoxy-phenyl)-2-methylsulfanyl-acetic acid CAS Name: 2-(5-formyl-2-methoxyphenyl)-2-(methylthio)acetic acid IUPAC Name: 2-(5-formyl-2-methoxyphenyl)-2-methylsulfanylacetic acid Traditional Name: 2-(5-formyl-2-methoxy-phenyl)-2-(methylthio)acetic acid Formula: C11H12O4S MolecularWeight: 240.27558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O4S/c1-15-9-4-3-7(6-12)5-8(9)10(16-2)11(13)14/h3-6,10H,1-2H3,(H,13,14)