benzene-1,2,4-tricarboxylate; hexanedioate; phthalate

Systemtic Name: benzene-1,2,4-tricarboxylate; hexanedioate; phthalate Openeye Name: benzene-1,2,4-tricarboxylate; hexanedioate; phthalate CAS Name: benzene-1,2,4-tricarboxylate; hexanedioate; phthalate IUPAC Name: benzene-1,2,4-tricarboxylate; hexanedioate; phthalate Traditional Name: adipate; benzene-1,2,4-tricarboxylate; phthalate Formula: C23H15O14-7 MolecularWeight: 515.3568

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C9H6O6.C8H6O4.C6H10O4/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;9-7(10)5-3-1-2-4-6(5)8(11)12;7-5(8)3-1-2-4-6(9)10/h1-3H,(H,10,11)(H,12,13)(H,14,15);1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10)/p-7