[4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]methyl-triphenyl-phosphanium bromide

Systemtic Name: [4-(2-methoxy-2-oxidanylidene-ethyl)phenyl]methyl-triphenyl-phosphanium bromide Openeye Name: [4-(2-methoxy-2-oxo-ethyl)phenyl]methyl-triphenyl-phosphonium bromide CAS Name: [4-(2-methoxy-2-oxoethyl)phenyl]methyl-triphenylphosphonium bromide IUPAC Name: [4-(2-methoxy-2-oxoethyl)phenyl]methyl-triphenylphosphanium bromide Traditional Name: [4-(2-keto-2-methoxy-ethyl)benzyl]-triphenyl-phosphonium bromide Formula: C28H26BrO2P MolecularWeight: 505.382601

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C28H26O2P.BrH/c1-30-28(29)21-23-17-19-24(20-18-23)22-31(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-20H,21-22H2,1H3;1H/q+1;/p-1