(4-methoxycarbonyl-2-nitro-phenyl)methyl-triphenyl-phosphanium bromide

Systemtic Name: (4-methoxycarbonyl-2-nitro-phenyl)methyl-triphenyl-phosphanium bromide Openeye Name: (4-methoxycarbonyl-2-nitro-phenyl)methyl-triphenyl-phosphonium bromide CAS Name: (4-methoxycarbonyl-2-nitrophenyl)methyl-triphenylphosphonium bromide IUPAC Name: (4-methoxycarbonyl-2-nitrophenyl)methyl-triphenylphosphanium bromide Traditional Name: (4-carbomethoxy-2-nitro-benzyl)-triphenyl-phosphonium bromide Formula: C27H23BrNO4P MolecularWeight: 536.353581

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23NO4P.BrH/c1-32-27(29)21-17-18-22(26(19-21)28(30)31)20-33(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25;/h2-19H,20H2,1H3;1H/q+1;/p-1