benzene-1,3-dicarboxylate; hexanedioate

Systemtic Name: benzene-1,3-dicarboxylate; hexanedioate Openeye Name: benzene-1,3-dicarboxylate; hexanedioate CAS Name: benzene-1,3-dicarboxylate; hexanedioate IUPAC Name: benzene-1,3-dicarboxylate; hexanedioate Traditional Name: adipate; isophthalate Formula: C14H12O8-4 MolecularWeight: 308.24028

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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-]

Isomeric SMILES

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

InChI

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