[4-chloranyl-5-methoxy-2-(2-methoxy-4-methoxycarbonyl-phenyl)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-chloranyl-5-methoxy-2-(2-methoxy-4-methoxycarbonyl-phenyl)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-chloro-5-methoxy-2-(2-methoxy-4-methoxycarbonyl-phenyl)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-chloro-5-methoxy-2-(2-methoxy-4-methoxycarbonylphenyl)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-chloro-5-methoxy-2-(2-methoxy-4-methoxycarbonylphenyl)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-(4-carbomethoxy-2-methoxy-phenyl)-4-chloro-5-methoxy-benzyl]-triphenyl-phosphonium bromide Formula: C35H31BrClO4P MolecularWeight: 661.949001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)C2=CC(=C(C=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC)Cl.[Br-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)C2=CC(=C(C=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC)Cl.[Br-]

InChI

InChI=1S/C35H31ClO4P.BrH/c1-38-33-21-25(35(37)40-3)19-20-30(33)31-23-32(36)34(39-2)22-26(31)24-41(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;/h4-23H,24H2,1-3H3;1H/q+1;/p-1