4-methyl-4,7-phenanthrolin-4-ium-5,6-dione iodide

Systemtic Name: 4-methyl-4,7-phenanthrolin-4-ium-5,6-dione iodide Openeye Name: 4-methyl-4,7-phenanthrolin-4-ium-5,6-dione iodide CAS Name: 4-methyl-4,7-phenanthrolin-4-ium-5,6-dione iodide IUPAC Name: 4-methyl-4,7-phenanthrolin-4-ium-5,6-dione iodide Traditional Name: 4-methyl-4,7-phenanthrolin-4-ium-5,6-quinone iodide Formula: C13H9IN2O2 MolecularWeight: 352.12723

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC2=C1C(=O)C(=O)C3=C2C=CC=N3.[I-]

Isomeric SMILES

C[N+]1=CC=CC2=C1C(=O)C(=O)C3=C2C=CC=N3.[I-]

InChI

InChI=1S/C13H9N2O2.HI/c1-15-7-3-5-9-8-4-2-6-14-10(8)12(16)13(17)11(9)15;/h2-7H,1H3;1H/q+1;/p-1