[2-[(3-ethoxy-2-methyl-3-oxidanylidene-propanoyl)amino]phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [2-[(3-ethoxy-2-methyl-3-oxidanylidene-propanoyl)amino]phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-[(3-ethoxy-2-methyl-3-oxo-propanoyl)amino]phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-[(3-ethoxy-2-methyl-1,3-dioxopropyl)amino]phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-[(3-ethoxy-2-methyl-3-oxopropanoyl)amino]phenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-[(3-ethoxy-3-keto-2-methyl-propanoyl)amino]benzyl]-triphenyl-phosphonium bromide Formula: C31H31BrNO3P MolecularWeight: 576.460501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)C(=O)NC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C(C)C(=O)NC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C31H30NO3P.BrH/c1-3-35-31(34)24(2)30(33)32-29-22-14-13-15-25(29)23-36(26-16-7-4-8-17-26,27-18-9-5-10-19-27)28-20-11-6-12-21-28;/h4-22,24H,3,23H2,1-2H3;1H