cinnolin-2-ium; 2-oxidanylbutanedioate

Systemtic Name: cinnolin-2-ium; 2-oxidanylbutanedioate Openeye Name: cinnolin-2-ium; 2-hydroxybutanedioate CAS Name: cinnolin-2-ium; 2-hydroxybutanedioate IUPAC Name: cinnolin-2-ium; 2-hydroxybutanedioate Traditional Name: cinnolin-2-ium; 2-hydroxysuccinate Formula: C20H18N4O5 MolecularWeight: 394.38072

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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-]

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-]

InChI

InChI=1S/2C8H6N2.C4H6O5/c2*1-2-4-8-7(3-1)5-6-9-10-8;5-2(4(8)9)1-3(6)7/h2*1-6H;2,5H,1H2,(H,6,7)(H,8,9)