triphenyl-[(3,4,5-trimethoxy-2-nitro-phenyl)methyl]phosphanium bromide

Systemtic Name: triphenyl-[(3,4,5-trimethoxy-2-nitro-phenyl)methyl]phosphanium bromide Openeye Name: triphenyl-[(3,4,5-trimethoxy-2-nitro-phenyl)methyl]phosphonium bromide CAS Name: triphenyl-[(3,4,5-trimethoxy-2-nitrophenyl)methyl]phosphonium bromide IUPAC Name: triphenyl-[(3,4,5-trimethoxy-2-nitrophenyl)methyl]phosphanium bromide Traditional Name: triphenyl-(3,4,5-trimethoxy-2-nitro-benzyl)phosphonium bromide Formula: C28H27BrNO5P MolecularWeight: 568.395441

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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)[N+](=O)[O-])OC)OC.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C28H27NO5P.BrH/c1-32-25-19-21(26(29(30)31)28(34-3)27(25)33-2)20-35(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;1H/q+1;/p-1