cinnolin-2-ium benzoate

Systemtic Name: cinnolin-2-ium benzoate Openeye Name: cinnolin-2-ium benzoate CAS Name: cinnolin-2-ium benzoate IUPAC Name: cinnolin-2-ium benzoate Traditional Name: cinnolin-2-ium benzoate Formula: C15H12N2O2 MolecularWeight: 252.26798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2.C7H6O2/c1-2-4-8-7(3-1)5-6-9-10-8;8-7(9)6-4-2-1-3-5-6/h1-6H;1-5H,(H,8,9)