benzene-1,3-dicarboxylic acid; sulfur dioxide

Systemtic Name: benzene-1,3-dicarboxylic acid; sulfur dioxide Openeye Name: isophthalic acid; sulfur dioxide CAS Name: benzene-1,3-dicarboxylic acid; sulfur dioxide IUPAC Name: benzene-1,3-dicarboxylic acid; sulfur dioxide Traditional Name: isophthalic acid; sulfur dioxide Formula: C8H6O6S MolecularWeight: 230.19464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.O2S/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-3-2/h1-4H,(H,9,10)(H,11,12);