(E)-but-2-enedioic acid; 1-oxidanylidene-1,2,3-triazinan-1-ium-5-one

Systemtic Name: (E)-but-2-enedioic acid; 1-oxidanylidene-1,2,3-triazinan-1-ium-5-one Openeye Name: fumaric acid; 1-oxotriazinan-1-ium-5-one CAS Name: (E)-2-butenedioic acid; 1-oxo-5-triazinan-1-iumone IUPAC Name: (E)-but-2-enedioic acid; 1-oxotriazinan-1-ium-5-one Traditional Name: fumaric acid; 1-ketotriazinan-1-ium-5-one Formula: C7H10N3O6+ MolecularWeight: 232.1708

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C[N+](=O)NN1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C(=O)C[N+](=O)NN1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H4O4.C3H6N3O2/c5-3(6)1-2-4(7)8;7-3-1-4-5-6(8)2-3/h1-2H,(H,5,6)(H,7,8);4H,1-2H2,(H,5,8)/q;+1/b2-1+;