benzene-1,2,4-tricarboxylate; hexanedioate

Systemtic Name: benzene-1,2,4-tricarboxylate; hexanedioate Openeye Name: benzene-1,2,4-tricarboxylate; hexanedioate CAS Name: benzene-1,2,4-tricarboxylate; hexanedioate IUPAC Name: benzene-1,2,4-tricarboxylate; hexanedioate Traditional Name: adipate; benzene-1,2,4-tricarboxylate Formula: C15H11O10-5 MolecularWeight: 351.24184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(=O)[O-])C(=O)[O-])C(=O)[O-].C(CCC(=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C9H6O6.C6H10O4/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;7-5(8)3-1-2-4-6(9)10/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H2,(H,7,8)(H,9,10)/p-5