(E)-but-2-enedioic acid; 2H-1,2,3-triazin-1-ium 1-oxide

Systemtic Name: (E)-but-2-enedioic acid; 2H-1,2,3-triazin-1-ium 1-oxide Openeye Name: fumaric acid; 2H-triazin-1-ium 1-oxide CAS Name: (E)-2-butenedioic acid; 2H-triazin-1-ium 1-oxide IUPAC Name: (E)-but-2-enedioic acid; 2H-triazin-1-ium 1-oxide Traditional Name: fumaric acid; 2H-triazin-1-ium 1-oxide Formula: C7H8N3O5+ MolecularWeight: 214.15552

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=O)NN=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=C[N+](=O)NN=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H4O4.C3H4N3O/c5-3(6)1-2-4(7)8;7-6-3-1-2-4-5-6/h1-2H,(H,5,6)(H,7,8);1-3H,(H,5,7)/q;+1/b2-1+;