benzene-1,3-dicarboxylate; butanedioate; hexanedioate

Systemtic Name: benzene-1,3-dicarboxylate; butanedioate; hexanedioate Openeye Name: benzene-1,3-dicarboxylate; butanedioate; hexanedioate CAS Name: benzene-1,3-dicarboxylate; butanedioate; hexanedioate IUPAC Name: benzene-1,3-dicarboxylate; butanedioate; hexanedioate Traditional Name: adipate; isophthalate; succinate Formula: C18H16O12-6 MolecularWeight: 424.31244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C6H10O4.C4H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10;5-3(6)1-2-4(7)8/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10);1-2H2,(H,5,6)(H,7,8)/p-6