3-[5,6-bis(oxidanylidene)-4,7-phenanthrolin-4-ium-4-yl]propanoic acid bromide

Systemtic Name: 3-[5,6-bis(oxidanylidene)-4,7-phenanthrolin-4-ium-4-yl]propanoic acid bromide Openeye Name: 3-(5,6-dioxo-4,7-phenanthrolin-4-ium-4-yl)propanoic acid bromide CAS Name: 3-(5,6-dioxo-4,7-phenanthrolin-4-ium-4-yl)propanoic acid bromide IUPAC Name: 3-(5,6-dioxo-4,7-phenanthrolin-4-ium-4-yl)propanoic acid bromide Traditional Name: 3-(5,6-diketo-4,7-phenanthrolin-4-ium-4-yl)propionic acid bromide Formula: C15H11BrN2O4 MolecularWeight: 363.16284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=O)C(=O)C3=C2C=CC=[N+]3CCC(=O)O)N=C1.[Br-]

Isomeric SMILES

C1=CC2=C(C(=O)C(=O)C3=C2C=CC=[N+]3CCC(=O)O)N=C1.[Br-]

InChI

InChI=1S/C15H10N2O4.BrH/c18-11(19)5-8-17-7-2-4-10-9-3-1-6-16-12(9)14(20)15(21)13(10)17;/h1-4,6-7H,5,8H2;1H