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cinnolin-2-ium; propanedioate

cinnolin-2-ium; propanedioate

Systemtic Name:cinnolin-2-ium; propanedioate
Openeye Name:cinnolin-2-ium; propanedioate
CAS Name:cinnolin-2-ium; propanedioate
IUPAC Name:cinnolin-2-ium; propanedioate
Traditional Name:cinnolin-2-ium; malonate
Formula: C19H16N4O4
MolecularWeight: 364.35474
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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(=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(=O)[O-])C(=O)[O-]


InChI

InChI=1S/2C8H6N2.C3H4O4/c2*1-2-4-8-7(3-1)5-6-9-10-8;4-2(5)1-3(6)7/h2*1-6H;1H2,(H,4,5)(H,6,7)


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