[4-methyl-3,6-bis(oxidanylidene)pyran-2-yl]methyl-triphenyl-phosphanium chloride

Systemtic Name: [4-methyl-3,6-bis(oxidanylidene)pyran-2-yl]methyl-triphenyl-phosphanium chloride Openeye Name: (4-methyl-3,6-dioxo-pyran-2-yl)methyl-triphenyl-phosphonium chloride CAS Name: (4-methyl-3,6-dioxo-2-pyranyl)methyl-triphenylphosphonium chloride IUPAC Name: (4-methyl-3,6-dioxopyran-2-yl)methyl-triphenylphosphanium chloride Traditional Name: (3,6-diketo-4-methyl-pyran-2-yl)methyl-triphenyl-phosphonium chloride Formula: C25H22ClO3P MolecularWeight: 436.867141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22O3P.ClH/c1-19-17-24(26)28-23(25(19)27)18-29(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-17,23H,18H2,1H3;1H/q+1;/p-1