2-carboxybenzene-1,3-dicarboxylate; 2,3,4,5,6-pentakis(oxidanyl)hexanoate

Systemtic Name: 2-carboxybenzene-1,3-dicarboxylate; 2,3,4,5,6-pentakis(oxidanyl)hexanoate Openeye Name: 2-carboxybenzene-1,3-dicarboxylate; 2,3,4,5,6-pentahydroxyhexanoate CAS Name: 2-carboxybenzene-1,3-dicarboxylate; 2,3,4,5,6-pentahydroxyhexanoate IUPAC Name: 2-carboxybenzene-1,3-dicarboxylate; 2,3,4,5,6-pentahydroxyhexanoate Traditional Name: 2-carboxyisophthalate; 2,3,4,5,6-pentahydroxyhexanoate Formula: C15H15O13-3 MolecularWeight: 403.2718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6O6.C6H12O7/c10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15;7-1-2(8)3(9)4(10)5(11)6(12)13/h1-3H,(H,10,11)(H,12,13)(H,14,15);2-5,7-11H,1H2,(H,12,13)/p-3