10-[(Z)-oct-3-en-4-yl]phenoxathiin-10-ium hexafluorophosphate

Systemtic Name: 10-[(Z)-oct-3-en-4-yl]phenoxathiin-10-ium hexafluorophosphate Openeye Name: 10-[(1Z)-1-propylidenepentyl]phenoxathiin-10-ium hexafluorophosphate CAS Name: 10-[(Z)-oct-3-en-4-yl]phenoxathiin-10-ium hexafluorophosphate IUPAC Name: 10-[(Z)-oct-3-en-4-yl]phenoxathiin-10-ium hexafluorophosphate Traditional Name: 10-[(Z)-1-butylbut-1-enyl]phenoxathiin-10-ium hexafluorophosphate Formula: C20H23F6OPS MolecularWeight: 456.4252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23OS.F6P/c1-3-5-11-16(10-4-2)22-19-14-8-6-12-17(19)21-18-13-7-9-15-20(18)22;1-7(2,3,4,5)6/h6-10,12-15H,3-5,11H2,1-2H3;/q+1;-1/b16-10-;