(3-acetyloxyphenyl)methyl-(4-methoxycarbonylphenyl)-diphenyl-phosphanium bromide

Systemtic Name: (3-acetyloxyphenyl)methyl-(4-methoxycarbonylphenyl)-diphenyl-phosphanium bromide Openeye Name: (3-acetoxyphenyl)methyl-(4-methoxycarbonylphenyl)-diphenyl-phosphonium bromide CAS Name: (3-acetyloxyphenyl)methyl-(4-methoxycarbonylphenyl)-diphenylphosphonium bromide IUPAC Name: (3-acetyloxyphenyl)methyl-(4-methoxycarbonylphenyl)-diphenylphosphanium bromide Traditional Name: (3-acetoxybenzyl)-(4-carbomethoxyphenyl)-diphenyl-phosphonium bromide Formula: C29H26BrO4P MolecularWeight: 549.392101

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC.[Br-]

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC.[Br-]

InChI

InChI=1S/C29H26O4P.BrH/c1-22(30)33-25-11-9-10-23(20-25)21-34(26-12-5-3-6-13-26,27-14-7-4-8-15-27)28-18-16-24(17-19-28)29(31)32-2;/h3-20H,21H2,1-2H3;1H/q+1;/p-1