(4-methoxycarbonyl-3-oxidanyl-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methoxycarbonyl-3-oxidanyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-hydroxy-4-methoxycarbonyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (3-hydroxy-4-methoxycarbonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-hydroxy-4-methoxycarbonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-carbomethoxy-3-hydroxy-benzyl)-triphenyl-phosphonium bromide Formula: C27H24BrO3P MolecularWeight: 507.355421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23O3P.BrH/c1-30-27(29)25-18-17-21(19-26(25)28)20-31(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-19H,20H2,1H3;1H