(E)-but-2-enedioic acid; 3-(oxidanylidenemethylidene)-1H-benzimidazol-3-ium-2-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(oxidanylidenemethylidene)-1H-benzimidazol-3-ium-2-one Openeye Name: fumaric acid; 3-(oxomethylene)-1H-benzimidazol-3-ium-2-one CAS Name: (E)-2-butenedioic acid; 3-(oxomethylidene)-1H-benzimidazol-3-ium-2-one IUPAC Name: (E)-but-2-enedioic acid; 3-(oxomethylidene)-1H-benzimidazol-3-ium-2-one Traditional Name: fumaric acid; 3-(ketomethylene)-1H-benzimidazol-3-ium-2-one Formula: C12H9N2O6+ MolecularWeight: 277.20966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)[N+]2=C=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)[N+]2=C=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H4N2O2.C4H4O4/c11-5-10-7-4-2-1-3-6(7)9-8(10)12;5-3(6)1-2-4(7)8/h1-4H;1-2H,(H,5,6)(H,7,8)/p+1/b;2-1+