10-[(E)-pent-2-en-2-yl]phenoxathiin-10-ium hexafluorophosphate

Systemtic Name: 10-[(E)-pent-2-en-2-yl]phenoxathiin-10-ium hexafluorophosphate Openeye Name: 10-[(E)-1-methylbut-1-enyl]phenoxathiin-10-ium hexafluorophosphate CAS Name: 10-[(E)-pent-2-en-2-yl]phenoxathiin-10-ium hexafluorophosphate IUPAC Name: 10-[(E)-pent-2-en-2-yl]phenoxathiin-10-ium hexafluorophosphate Traditional Name: 10-[(E)-1-methylbut-1-enyl]phenoxathiin-10-ium hexafluorophosphate Formula: C17H17F6OPS MolecularWeight: 414.34546

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C)[S+]1C2=CC=CC=C2OC3=CC=CC=C31.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC/C=C(\C)/[S+]1C2=CC=CC=C2OC3=CC=CC=C31.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C17H17OS.F6P/c1-3-8-13(2)19-16-11-6-4-9-14(16)18-15-10-5-7-12-17(15)19;1-7(2,3,4,5)6/h4-12H,3H2,1-2H3;/q+1;-1/b13-8+;