sodium; benzene-1,3-dicarboxylic acid; benzene-6-ide-1,4-dicarboxylate

Systemtic Name: sodium; benzene-1,3-dicarboxylic acid; benzene-6-ide-1,4-dicarboxylate Openeye Name: sodium; benzene-6-ide-1,4-dicarboxylate; isophthalic acid CAS Name: sodium; benzene-1,3-dicarboxylic acid; benzene-6-ide-1,4-dicarboxylate IUPAC Name: sodium; benzene-1,3-dicarboxylic acid; benzene-6-ide-1,4-dicarboxylate Traditional Name: sodium; benzene-6-ide-1,4-dicarboxylate; isophthalic acid Formula: C16H9NaO8-2 MolecularWeight: 352.22763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=C(C=[C-]C(=C1)C(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=C(C=[C-]C(=C1)C(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C8H5O4.C8H6O4.Na/c9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;/h1-3H,(H,9,10)(H,11,12);1-4H,(H,9,10)(H,11,12);/q-1;;+1/p-2