2-(4-methoxy-3-sulfanyl-phenyl)ethanoic acid

Systemtic Name: 2-(4-methoxy-3-sulfanyl-phenyl)ethanoic acid Openeye Name: 2-(4-methoxy-3-sulfanyl-phenyl)acetic acid CAS Name: 2-(3-mercapto-4-methoxyphenyl)acetic acid IUPAC Name: 2-(4-methoxy-3-sulfanylphenyl)acetic acid Traditional Name: 2-(3-mercapto-4-methoxy-phenyl)acetic acid Formula: C9H10O3S MolecularWeight: 198.2389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O3S/c1-12-7-3-2-6(4-8(7)13)5-9(10)11/h2-4,13H,5H2,1H3,(H,10,11)