(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl-triphenyl-phosphanium

Systemtic Name: (2-bromanyl-3,4,5-trimethoxy-phenyl)methyl-triphenyl-phosphanium Openeye Name: (2-bromo-3,4,5-trimethoxy-phenyl)methyl-triphenyl-phosphonium CAS Name: (2-bromo-3,4,5-trimethoxyphenyl)methyl-triphenylphosphonium IUPAC Name: (2-bromo-3,4,5-trimethoxyphenyl)methyl-triphenylphosphanium Traditional Name: (2-bromo-3,4,5-trimethoxy-benzyl)-triphenyl-phosphonium Formula: C28H27BrO3P+ MolecularWeight: 522.389941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27BrO3P/c1-30-25-19-21(26(29)28(32-3)27(25)31-2)20-33(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-19H,20H2,1-3H3/q+1