3-[3,4-bis(oxidanyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[3,4-bis(oxidanyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-(3,4-dihydroxyphenyl)sulfanylpropanoic acid CAS Name: 3-[(3,4-dihydroxyphenyl)thio]propanoic acid IUPAC Name: 3-(3,4-dihydroxyphenyl)sulfanylpropanoic acid Traditional Name: 3-[(3,4-dihydroxyphenyl)thio]propionic acid Formula: C9H10O4S MolecularWeight: 214.2383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SCCC(=O)O)O)O

Isomeric SMILES

C1=CC(=C(C=C1SCCC(=O)O)O)O

InChI

InChI=1S/C9H10O4S/c10-7-2-1-6(5-8(7)11)14-4-3-9(12)13/h1-2,5,10-11H,3-4H2,(H,12,13)