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

Systemtic Name: isoquinolin-2-ium; 2,3,4,5,6-pentakis(chloranyl)phenolate Openeye Name: isoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate CAS Name: isoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate IUPAC Name: isoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate Traditional Name: isoquinolin-2-ium; 2,3,4,5,6-pentachlorophenolate Formula: C15H8Cl5NO MolecularWeight: 395.49512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[NH+]C=CC2=C1.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C2C=[NH+]C=CC2=C1.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-]

InChI

InChI=1S/C9H7N.C6HCl5O/c1-2-4-9-7-10-6-5-8(9)3-1;7-1-2(8)4(10)6(12)5(11)3(1)9/h1-7H;12H