(6-oxidanyl-3-oxidanylidene-heptan-2-yl)-triphenyl-phosphanium chloride

Systemtic Name: (6-oxidanyl-3-oxidanylidene-heptan-2-yl)-triphenyl-phosphanium chloride Openeye Name: (5-hydroxy-1-methyl-2-oxo-hexyl)-triphenyl-phosphonium chloride CAS Name: (6-hydroxy-3-oxoheptan-2-yl)-triphenylphosphonium chloride IUPAC Name: (6-hydroxy-3-oxoheptan-2-yl)-triphenylphosphanium chloride Traditional Name: (5-hydroxy-2-keto-1-methyl-hexyl)-triphenyl-phosphonium chloride Formula: C25H28ClO2P MolecularWeight: 426.915381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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