(E)-but-2-enedioate; cinnolin-2-ium

Systemtic Name: (E)-but-2-enedioate; cinnolin-2-ium Openeye Name: (E)-but-2-enedioate; cinnolin-2-ium CAS Name: (E)-2-butenedioate; cinnolin-2-ium IUPAC Name: (E)-but-2-enedioate; cinnolin-2-ium Traditional Name: cinnolin-2-ium fumarate Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C[NH+]=N2.C1=CC=C2C(=C1)C=C[NH+]=N2.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C[NH+]=N2.C1=CC=C2C(=C1)C=C[NH+]=N2.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/2C8H6N2.C4H4O4/c2*1-2-4-8-7(3-1)5-6-9-10-8;5-3(6)1-2-4(7)8/h2*1-6H;1-2H,(H,5,6)(H,7,8)/b;;2-1+