cinnolin-2-ium; ethanedioate

Systemtic Name: cinnolin-2-ium; ethanedioate Openeye Name: cinnolin-2-ium; oxalate CAS Name: cinnolin-2-ium; oxalate IUPAC Name: cinnolin-2-ium; oxalate Traditional Name: cinnolin-2-ium; oxalate Formula: C18H14N4O4 MolecularWeight: 350.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H6N2.C2H2O4/c2*1-2-4-8-7(3-1)5-6-9-10-8;3-1(4)2(5)6/h2*1-6H;(H,3,4)(H,5,6)