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

Systemtic Name: (3-acetyloxy-4-methoxycarbonyl-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (3-acetoxy-4-methoxycarbonyl-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (3-acetyloxy-4-methoxycarbonylphenyl)methyl-triphenylphosphonium bromide IUPAC Name: (3-acetyloxy-4-methoxycarbonylphenyl)methyl-triphenylphosphanium bromide Traditional Name: (3-acetoxy-4-carbomethoxy-benzyl)-triphenyl-phosphonium bromide Formula: C29H26BrO4P MolecularWeight: 549.392101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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