[(E)-3-(4-nitrophenyl)prop-2-enyl]-triphenyl-phosphanium bromide

Systemtic Name: [(E)-3-(4-nitrophenyl)prop-2-enyl]-triphenyl-phosphanium bromide Openeye Name: [(E)-3-(4-nitrophenyl)allyl]-triphenyl-phosphonium bromide CAS Name: [(E)-3-(4-nitrophenyl)prop-2-enyl]-triphenylphosphonium bromide IUPAC Name: [(E)-3-(4-nitrophenyl)prop-2-enyl]-triphenylphosphanium bromide Traditional Name: [(E)-3-(4-nitrophenyl)allyl]-triphenyl-phosphonium bromide Formula: C27H23BrNO2P MolecularWeight: 504.354781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[P+](CC=CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C27H23NO2P.BrH/c29-28(30)24-20-18-23(19-21-24)11-10-22-31(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27;/h1-21H,22H2;1H/q+1;/p-1/b11-10+;