bis[3-nitro-4,5-bis(oxidanyl)phenyl]methanone hydrobromide

Systemtic Name: bis[3-nitro-4,5-bis(oxidanyl)phenyl]methanone hydrobromide Openeye Name: bis(3,4-dihydroxy-5-nitro-phenyl)methanone hydrobromide CAS Name: bis(3,4-dihydroxy-5-nitrophenyl)methanone hydrobromide IUPAC Name: bis(3,4-dihydroxy-5-nitrophenyl)methanone hydrobromide Traditional Name: bis(3,4-dihydroxy-5-nitro-phenyl)methanone hydrobromide Formula: C13H9BrN2O9 MolecularWeight: 417.12256

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Br

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)O)C(=O)C2=CC(=C(C(=C2)O)O)[N+](=O)[O-].Br

InChI

InChI=1S/C13H8N2O9.BrH/c16-9-3-5(1-7(12(9)19)14(21)22)11(18)6-2-8(15(23)24)13(20)10(17)4-6;/h1-4,16-17,19-20H;1H