(E)-but-2-enedioic acid; isoindole-1,3-dione

Systemtic Name: (E)-but-2-enedioic acid; isoindole-1,3-dione Openeye Name: fumaric acid; isoindoline-1,3-dione CAS Name: (E)-2-butenedioic acid; isoindole-1,3-dione IUPAC Name: (E)-but-2-enedioic acid; isoindole-1,3-dione Traditional Name: fumaric acid; phthalimide Formula: C12H9NO6 MolecularWeight: 263.20296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NC2=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NC2=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H5NO2.C4H4O4/c10-7-5-3-1-2-4-6(5)8(11)9-7;5-3(6)1-2-4(7)8/h1-4H,(H,9,10,11);1-2H,(H,5,6)(H,7,8)/b;2-1+