(E)-but-2-enedioate benzoate

Systemtic Name: (E)-but-2-enedioate benzoate Openeye Name: (E)-but-2-enedioate benzoate CAS Name: (E)-2-butenedioate benzoate IUPAC Name: (E)-but-2-enedioate benzoate Traditional Name: benzoate fumarate Formula: C11H7O6-3 MolecularWeight: 235.16968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O2.C4H4O4/c8-7(9)6-4-2-1-3-5-6;5-3(6)1-2-4(7)8/h1-5H,(H,8,9);1-2H,(H,5,6)(H,7,8)/p-3/b;2-1+