sodium 4-acetyloxycarbonylbenzene-1,2,3-tricarboxylate

Systemtic Name: sodium 4-acetyloxycarbonylbenzene-1,2,3-tricarboxylate Openeye Name: sodium 4-acetoxycarbonylbenzene-1,2,3-tricarboxylate CAS Name: sodium 4-[acetyloxy(oxo)methyl]benzene-1,2,3-tricarboxylate IUPAC Name: sodium 4-acetyloxycarbonylbenzene-1,2,3-tricarboxylate Traditional Name: sodium 4-acetoxycarbonylbenzene-1,2,3-tricarboxylate Formula: C12H5NaO9-2 MolecularWeight: 316.15247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8O9.Na/c1-4(13)21-12(20)6-3-2-5(9(14)15)7(10(16)17)8(6)11(18)19;/h2-3H,1H3,(H,14,15)(H,16,17)(H,18,19);/q;+1/p-3