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

Systemtic Name: (4-bromanyl-2,5-dipropoxy-phenyl)methyl-triphenyl-phosphanium Openeye Name: (4-bromo-2,5-dipropoxy-phenyl)methyl-triphenyl-phosphonium CAS Name: (4-bromo-2,5-dipropoxyphenyl)methyl-triphenylphosphonium IUPAC Name: (4-bromo-2,5-dipropoxyphenyl)methyl-triphenylphosphanium Traditional Name: (4-bromo-2,5-dipropoxy-benzyl)-triphenyl-phosphonium Formula: C31H33BrO2P+ MolecularWeight: 548.470281

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33BrO2P/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/q+1