2,3-bis(oxidanyl)butanedioate; cinnolin-2-ium

Systemtic Name: 2,3-bis(oxidanyl)butanedioate; cinnolin-2-ium Openeye Name: cinnolin-2-ium; 2,3-dihydroxybutanedioate CAS Name: cinnolin-2-ium; 2,3-dihydroxybutanedioate IUPAC Name: cinnolin-2-ium; 2,3-dihydroxybutanedioate Traditional Name: cinnolin-2-ium tartrate Formula: C20H18N4O6 MolecularWeight: 410.38012

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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(C(C(=O)[O-])O)(C(=O)[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-])O)(C(=O)[O-])O

InChI

InChI=1S/2C8H6N2.C4H6O6/c2*1-2-4-8-7(3-1)5-6-9-10-8;5-1(3(7)8)2(6)4(9)10/h2*1-6H;1-2,5-6H,(H,7,8)(H,9,10)