[1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-triphenyl-phosphanium bromide

Systemtic Name: [1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl]-triphenyl-phosphanium bromide Openeye Name: [2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl]-triphenyl-phosphonium bromide CAS Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl]-triphenylphosphonium bromide IUPAC Name: [1-(4-chlorophenyl)-1-oxopropan-2-yl]-triphenylphosphanium bromide Traditional Name: [2-(4-chlorophenyl)-2-keto-1-methyl-ethyl]-triphenyl-phosphonium bromide Formula: C27H23BrClOP MolecularWeight: 509.801681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClOP.BrH/c1-21(27(29)22-17-19-23(28)20-18-22)30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-21H,1H3;1H/q+1;/p-1