3-(4,5-dimethoxy-2-sulfanyl-phenyl)propanoic acid

Systemtic Name: 3-(4,5-dimethoxy-2-sulfanyl-phenyl)propanoic acid Openeye Name: 3-(4,5-dimethoxy-2-sulfanyl-phenyl)propanoic acid CAS Name: 3-(2-mercapto-4,5-dimethoxyphenyl)propanoic acid IUPAC Name: 3-(4,5-dimethoxy-2-sulfanylphenyl)propanoic acid Traditional Name: 3-(2-mercapto-4,5-dimethoxy-phenyl)propionic acid Formula: C11H14O4S MolecularWeight: 242.29146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14O4S/c1-14-8-5-7(3-4-11(12)13)10(16)6-9(8)15-2/h5-6,16H,3-4H2,1-2H3,(H,12,13)