(4-bromanyl-2,5-dipropoxy-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-bromanyl-2,5-dipropoxy-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-bromo-2,5-dipropoxy-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-bromo-2,5-dipropoxyphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-bromo-2,5-dipropoxyphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-bromo-2,5-dipropoxy-benzyl)-triphenyl-phosphonium bromide Formula: C31H33Br2O2P MolecularWeight: 628.374281

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCCC)Br.[Br-]

Isomeric SMILES

CCCOC1=CC(=C(C=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCCC)Br.[Br-]

InChI

InChI=1S/C31H33BrO2P.BrH/c1-3-20-33-30-23-29(32)31(34-21-4-2)22-25(30)24-35(26-14-8-5-9-15-26,27-16-10-6-11-17-27)28-18-12-7-13-19-28;/h5-19,22-23H,3-4,20-21,24H2,1-2H3;1H/q+1;/p-1