2-sulfanylbenzene-1,3-dicarboxylate

Systemtic Name: 2-sulfanylbenzene-1,3-dicarboxylate Openeye Name: 2-sulfanylbenzene-1,3-dicarboxylate CAS Name: 2-mercaptobenzene-1,3-dicarboxylate IUPAC Name: 2-sulfanylbenzene-1,3-dicarboxylate Traditional Name: 2-mercaptoisophthalate Formula: C8H4O4S-2 MolecularWeight: 196.17996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)[O-])S)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)[O-])S)C(=O)[O-]

InChI

InChI=1S/C8H6O4S/c9-7(10)4-2-1-3-5(6(4)13)8(11)12/h1-3,13H,(H,9,10)(H,11,12)/p-2