3-(2-methyl-6-oxidanylidene-pyran-4-yl)oxypropyl-triphenyl-phosphanium bromide

Systemtic Name: 3-(2-methyl-6-oxidanylidene-pyran-4-yl)oxypropyl-triphenyl-phosphanium bromide Openeye Name: 3-(2-methyl-6-oxo-pyran-4-yl)oxypropyl-triphenyl-phosphonium bromide CAS Name: 3-[(2-methyl-6-oxo-4-pyranyl)oxy]propyl-triphenylphosphonium bromide IUPAC Name: 3-(2-methyl-6-oxopyran-4-yl)oxypropyl-triphenylphosphanium bromide Traditional Name: 3-(2-keto-6-methyl-pyran-4-yl)oxypropyl-triphenyl-phosphonium bromide Formula: C27H26BrO3P MolecularWeight: 509.371301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)O1)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC(=CC(=O)O1)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H26O3P.BrH/c1-22-20-23(21-27(28)30-22)29-18-11-19-31(24-12-5-2-6-13-24,25-14-7-3-8-15-25)26-16-9-4-10-17-26;/h2-10,12-17,20-21H,11,18-19H2,1H3;1H/q+1;/p-1