(5-bromanyl-2H-indazol-3-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (5-bromanyl-2H-indazol-3-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (5-bromo-2H-indazol-3-yl)methyl-triphenyl-phosphonium bromide CAS Name: (5-bromo-2H-indazol-3-yl)methyl-triphenylphosphonium bromide IUPAC Name: (5-bromo-2H-indazol-3-yl)methyl-triphenylphosphanium bromide Traditional Name: (5-bromo-2H-indazol-3-yl)methyl-triphenyl-phosphonium bromide Formula: C26H21Br2N2P MolecularWeight: 552.240101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC2=C3C=C(C=CC3=NN2)Br)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[P+](CC2=C3C=C(C=CC3=NN2)Br)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]

InChI

InChI=1S/C26H21BrN2P.BrH/c27-20-16-17-25-24(18-20)26(29-28-25)19-30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2,(H,28,29);1H/q+1;/p-1