barium(2+); benzene-1,3-dicarboxylate

Systemtic Name: barium(2+); benzene-1,3-dicarboxylate Openeye Name: barium(2+); benzene-1,3-dicarboxylate CAS Name: barium(2+); benzene-1,3-dicarboxylate IUPAC Name: barium(2+); benzene-1,3-dicarboxylate Traditional Name: barium(2+); isophthalate Formula: C8H4BaO4 MolecularWeight: 301.44196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[Ba+2]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[Ba+2]

InChI

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