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

Systemtic Name: [2-[(3-ethoxy-2,2-dimethyl-3-oxidanylidene-propanoyl)amino]-3-methoxy-phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [2-[(3-ethoxy-2,2-dimethyl-3-oxo-propanoyl)amino]-3-methoxy-phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [2-[(3-ethoxy-2,2-dimethyl-1,3-dioxopropyl)amino]-3-methoxyphenyl]methyl-triphenylphosphonium bromide IUPAC Name: [2-[(3-ethoxy-2,2-dimethyl-3-oxopropanoyl)amino]-3-methoxyphenyl]methyl-triphenylphosphanium bromide Traditional Name: [2-[(3-ethoxy-3-keto-2,2-dimethyl-propanoyl)amino]-3-methoxy-benzyl]-triphenyl-phosphonium bromide Formula: C33H35BrNO4P MolecularWeight: 620.513061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)C(=O)NC1=C(C=CC=C1OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CCOC(=O)C(C)(C)C(=O)NC1=C(C=CC=C1OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C33H34NO4P.BrH/c1-5-38-32(36)33(2,3)31(35)34-30-25(16-15-23-29(30)37-4)24-39(26-17-9-6-10-18-26,27-19-11-7-12-20-27)28-21-13-8-14-22-28;/h6-23H,5,24H2,1-4H3;1H