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

Systemtic Name: (E)-but-2-enedioic acid; 2,3-dihydroindol-1-ium 1-oxide Openeye Name: fumaric acid; indolin-1-ium 1-oxide CAS Name: (E)-2-butenedioic acid; 2,3-dihydroindol-1-ium 1-oxide IUPAC Name: (E)-but-2-enedioic acid; 2,3-dihydroindol-1-ium 1-oxide Traditional Name: fumaric acid; indolin-1-ium 1-oxide Formula: C12H12NO5+ MolecularWeight: 250.22738

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C2=CC=CC=C21.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C[N+](=O)C2=CC=CC=C21.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H8NO.C4H4O4/c10-9-6-5-7-3-1-2-4-8(7)9;5-3(6)1-2-4(7)8/h1-4H,5-6H2;1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1+