butanedioate; phthalate

Systemtic Name: butanedioate; phthalate Openeye Name: butanedioate; phthalate CAS Name: butanedioate; phthalate IUPAC Name: butanedioate; phthalate Traditional Name: phthalate; succinate Formula: C12H8O8-4 MolecularWeight: 280.18712

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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)[O-]

Isomeric SMILES

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

InChI

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