2-[3-(methylsulfanylmethyl)-4-oxidanyl-phenyl]-2-sulfo-ethanoic acid

Systemtic Name: 2-[3-(methylsulfanylmethyl)-4-oxidanyl-phenyl]-2-sulfo-ethanoic acid Openeye Name: 2-[4-hydroxy-3-(methylsulfanylmethyl)phenyl]-2-sulfo-acetic acid CAS Name: 2-[4-hydroxy-3-[(methylthio)methyl]phenyl]-2-sulfoacetic acid IUPAC Name: 2-[4-hydroxy-3-(methylsulfanylmethyl)phenyl]-2-sulfoacetic acid Traditional Name: 2-[4-hydroxy-3-[(methylthio)methyl]phenyl]-2-sulfo-acetic acid Formula: C10H12O6S2 MolecularWeight: 292.32868

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(C=CC(=C1)C(C(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CSCC1=C(C=CC(=C1)C(C(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C10H12O6S2/c1-17-5-7-4-6(2-3-8(7)11)9(10(12)13)18(14,15)16/h2-4,9,11H,5H2,1H3,(H,12,13)(H,14,15,16)