4-oxidanylideneheptanedioate; phthalate

Systemtic Name: 4-oxidanylideneheptanedioate; phthalate Openeye Name: 4-oxoheptanedioate; phthalate CAS Name: 4-oxoheptanedioate; phthalate IUPAC Name: 4-oxoheptanedioate; phthalate Traditional Name: 4-ketopimelate; phthalate Formula: C15H12O9-4 MolecularWeight: 336.25038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6O4.C7H10O5/c9-7(10)5-3-1-2-4-6(5)8(11)12;8-5(1-3-6(9)10)2-4-7(11)12/h1-4H,(H,9,10)(H,11,12);1-4H2,(H,9,10)(H,11,12)/p-4