(5-nitro-2-oxidanyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (5-nitro-2-oxidanyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-hydroxy-5-nitro-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-hydroxy-5-nitrophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-hydroxy-5-nitrophenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-hydroxy-5-nitro-benzyl)-triphenyl-phosphonium bromide Formula: C25H21BrNO3P MolecularWeight: 494.316901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=C(C=CC(=C2)[N+](=O)[O-])O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=C(C=CC(=C2)[N+](=O)[O-])O)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C25H20NO3P.BrH/c27-25-17-16-21(26(28)29)18-20(25)19-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H