sodium; benzene-1,3-dicarboxylate; 1-benzofuran

Systemtic Name: sodium; benzene-1,3-dicarboxylate; 1-benzofuran Openeye Name: sodium; benzene-1,3-dicarboxylate; benzofuran CAS Name: sodium; benzene-1,3-dicarboxylate; benzofuran IUPAC Name: sodium; benzene-1,3-dicarboxylate; 1-benzofuran Traditional Name: sodium; benzofuran; isophthalate Formula: C16H10NaO5- MolecularWeight: 305.23737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CO2.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C=CO2.C1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C8H6O4.C8H6O.Na/c9-7(10)5-2-1-3-6(4-5)8(11)12;1-2-4-8-7(3-1)5-6-9-8;/h1-4H,(H,9,10)(H,11,12);1-6H;/q;;+1/p-2