(E)-but-2-enedioic acid; 2H-pyridin-1-ium 1-oxide

Systemtic Name: (E)-but-2-enedioic acid; 2H-pyridin-1-ium 1-oxide Openeye Name: fumaric acid; 2H-pyridin-1-ium 1-oxide CAS Name: (E)-2-butenedioic acid; 2H-pyridin-1-ium 1-oxide IUPAC Name: (E)-but-2-enedioic acid; 2H-pyridin-1-ium 1-oxide Traditional Name: fumaric acid; 2H-pyridin-1-ium 1-oxide Formula: C9H10NO5+ MolecularWeight: 212.1794

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=C[N+]1=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C=CC=C[N+]1=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C5H6NO.C4H4O4/c7-6-4-2-1-3-5-6;5-3(6)1-2-4(7)8/h1-4H,5H2;1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1+