(2-chloranyl-3-methyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (2-chloranyl-3-methyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (2-chloro-3-methyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (2-chloro-3-methylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (2-chloro-3-methylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (2-chloro-3-methyl-benzyl)-triphenyl-phosphonium bromide Formula: C26H23BrClP MolecularWeight: 481.791581

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl.[Br-]

Isomeric SMILES

CC1=C(C(=CC=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Cl.[Br-]

InChI

InChI=1S/C26H23ClP.BrH/c1-21-12-11-13-22(26(21)27)20-28(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25;/h2-19H,20H2,1H3;1H/q+1;/p-1