[(E)-4,4-dimethoxy-3-methyl-but-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-4,4-dimethoxy-3-methyl-but-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-4,4-dimethoxy-3-methyl-but-2-enyl]-triphenyl-phosphonium bromide CAS Name: [(E)-4,4-dimethoxy-3-methylbut-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-4,4-dimethoxy-3-methylbut-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-4,4-dimethoxy-3-methyl-but-2-enyl]-triphenyl-phosphonium bromide Formula: C25H28BrO2P MolecularWeight: 471.366381

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(OC)OC.[Br-]

Isomeric SMILES

C/C(=C\C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)/C(OC)OC.[Br-]

InChI

InChI=1S/C25H28O2P.BrH/c1-21(25(26-2)27-3)19-20-28(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24;/h4-19,25H,20H2,1-3H3;1H/q+1;/p-1/b21-19+;