(4,5-dimethylnaphthalen-1-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4,5-dimethylnaphthalen-1-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (4,5-dimethyl-1-naphthyl)methyl-triphenyl-phosphonium bromide CAS Name: (4,5-dimethyl-1-naphthalenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4,5-dimethylnaphthalen-1-yl)methyl-triphenylphosphanium bromide Traditional Name: (4,5-dimethyl-1-naphthyl)methyl-triphenyl-phosphonium bromide Formula: C31H28BrP MolecularWeight: 511.431781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=CC2=C(C=C1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C.[Br-]

Isomeric SMILES

CC1=C2C(=CC=CC2=C(C=C1)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C.[Br-]

InChI

InChI=1S/C31H28P.BrH/c1-24-13-12-20-30-26(22-21-25(2)31(24)30)23-32(27-14-6-3-7-15-27,28-16-8-4-9-17-28)29-18-10-5-11-19-29;/h3-22H,23H2,1-2H3;1H/q+1;/p-1