(7,8-dimethoxyphenanthren-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (7,8-dimethoxyphenanthren-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (7,8-dimethoxy-2-phenanthryl)methyl-triphenyl-phosphonium bromide CAS Name: (7,8-dimethoxy-2-phenanthrenyl)methyl-triphenylphosphonium bromide IUPAC Name: (7,8-dimethoxyphenanthren-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (7,8-dimethoxy-2-phenanthryl)methyl-triphenyl-phosphonium bromide Formula: C35H30BrO2P MolecularWeight: 593.489261

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C3=C(C=C2)C=C(C=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC.[Br-]

Isomeric SMILES

COC1=C(C2=C(C=C1)C3=C(C=C2)C=C(C=C3)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC.[Br-]

InChI

InChI=1S/C35H30O2P.BrH/c1-36-34-23-22-32-31-20-18-26(24-27(31)19-21-33(32)35(34)37-2)25-38(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30;/h3-24H,25H2,1-2H3;1H/q+1;/p-1