(1-chloranyl-8-methoxy-phenanthren-2-yl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (1-chloranyl-8-methoxy-phenanthren-2-yl)methyl-triphenyl-phosphanium bromide Openeye Name: (1-chloro-8-methoxy-2-phenanthryl)methyl-triphenyl-phosphonium bromide CAS Name: (1-chloro-8-methoxy-2-phenanthrenyl)methyl-triphenylphosphonium bromide IUPAC Name: (1-chloro-8-methoxyphenanthren-2-yl)methyl-triphenylphosphanium bromide Traditional Name: (1-chloro-8-methoxy-2-phenanthryl)methyl-triphenyl-phosphonium bromide Formula: C34H27BrClOP MolecularWeight: 597.908341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C=CC3=C2C=CC(=C3Cl)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

Isomeric SMILES

COC1=CC=CC2=C1C=CC3=C2C=CC(=C3Cl)C[P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]

InChI

InChI=1S/C34H27ClOP.BrH/c1-36-33-19-11-18-29-30-21-20-25(34(35)32(30)23-22-31(29)33)24-37(26-12-5-2-6-13-26,27-14-7-3-8-15-27)28-16-9-4-10-17-28;/h2-23H,24H2,1H3;1H/q+1;/p-1