(E)-but-2-enedioate; phthalate

Systemtic Name: (E)-but-2-enedioate; phthalate Openeye Name: (E)-but-2-enedioate; phthalate CAS Name: (E)-2-butenedioate; phthalate IUPAC Name: (E)-but-2-enedioate; phthalate Traditional Name: phthalate fumarate Formula: C12H6O8-4 MolecularWeight: 278.17124

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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(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C8H6O4.C4H4O4/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);1-2H,(H,5,6)(H,7,8)/p-4/b;2-1+