disodium 5-methylbenzene-1,3-dicarboxylate

Systemtic Name: disodium 5-methylbenzene-1,3-dicarboxylate Openeye Name: disodium 5-methylbenzene-1,3-dicarboxylate CAS Name: disodium 5-methylbenzene-1,3-dicarboxylate IUPAC Name: disodium 5-methylbenzene-1,3-dicarboxylate Traditional Name: disodium 5-methylisophthalate Formula: C9H6Na2O4 MolecularWeight: 224.12108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C9H8O4.2Na/c1-5-2-6(8(10)11)4-7(3-5)9(12)13;;/h2-4H,1H3,(H,10,11)(H,12,13);;/q;2*+1/p-2