(5-methoxy-3-methyl-5-oxidanylidene-pentyl)-triphenyl-phosphanium bromide

Systemtic Name: (5-methoxy-3-methyl-5-oxidanylidene-pentyl)-triphenyl-phosphanium bromide Openeye Name: (5-methoxy-3-methyl-5-oxo-pentyl)-triphenyl-phosphonium bromide CAS Name: (5-methoxy-3-methyl-5-oxopentyl)-triphenylphosphonium bromide IUPAC Name: (5-methoxy-3-methyl-5-oxopentyl)-triphenylphosphanium bromide Traditional Name: (5-keto-5-methoxy-3-methyl-pentyl)-triphenyl-phosphonium bromide Formula: C25H28BrO2P MolecularWeight: 471.366381

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC.[Br-]

Isomeric SMILES

CC(CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC.[Br-]

InChI

InChI=1S/C25H28O2P.BrH/c1-21(20-25(26)27-2)18-19-28(22-12-6-3-7-13-22,23-14-8-4-9-15-23)24-16-10-5-11-17-24;/h3-17,21H,18-20H2,1-2H3;1H/q+1;/p-1