(4-methylphenyl)-(2-oxidanylidenechromen-7-yl)iodanium hexafluorophosphate

Systemtic Name: (4-methylphenyl)-(2-oxidanylidenechromen-7-yl)iodanium hexafluorophosphate Openeye Name: (2-oxochromen-7-yl)-(p-tolyl)iodonium hexafluorophosphate CAS Name: (4-methylphenyl)-(2-oxo-1-benzopyran-7-yl)iodonium hexafluorophosphate IUPAC Name: (4-methylphenyl)-(2-oxochromen-7-yl)iodanium hexafluorophosphate Traditional Name: (2-ketochromen-7-yl)-(p-tolyl)iodonium hexafluorophosphate Formula: C16H12F6IO2P MolecularWeight: 508.13393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[I+]C2=CC3=C(C=C2)C=CC(=O)O3.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)[I+]C2=CC3=C(C=C2)C=CC(=O)O3.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C16H12IO2.F6P/c1-11-2-6-13(7-3-11)17-14-8-4-12-5-9-16(18)19-15(12)10-14;1-7(2,3,4,5)6/h2-10H,1H3;/q+1;-1