5-nitroisoquinolin-2-ium; 2,3,4,5,6-pentakis(chloranyl)phenolate

Systemtic Name: 5-nitroisoquinolin-2-ium; 2,3,4,5,6-pentakis(chloranyl)phenolate Openeye Name: 5-nitroisoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate CAS Name: 5-nitroisoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate IUPAC Name: 5-nitroisoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate Traditional Name: 5-nitroisoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate Formula: C15H7Cl5N2O3 MolecularWeight: 440.49268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C[NH+]=C2)C(=C1)[N+](=O)[O-].C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

Isomeric SMILES

C1=CC2=C(C=C[NH+]=C2)C(=C1)[N+](=O)[O-].C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

InChI

InChI=1S/C9H6N2O2.C6HCl5O/c12-11(13)9-3-1-2-7-6-10-5-4-8(7)9;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H;12H