10-[(Z)-dec-5-en-5-yl]phenoxathiin-10-ium hexafluorophosphate

Systemtic Name: 10-[(Z)-dec-5-en-5-yl]phenoxathiin-10-ium hexafluorophosphate Openeye Name: 10-[(Z)-1-butylhex-1-enyl]phenoxathiin-10-ium hexafluorophosphate CAS Name: 10-[(Z)-dec-5-en-5-yl]phenoxathiin-10-ium hexafluorophosphate IUPAC Name: 10-[(Z)-dec-5-en-5-yl]phenoxathiin-10-ium hexafluorophosphate Traditional Name: 10-[(Z)-1-butylhex-1-enyl]phenoxathiin-10-ium hexafluorophosphate Formula: C22H27F6OPS MolecularWeight: 484.47836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27OS.F6P/c1-3-5-7-13-18(12-6-4-2)24-21-16-10-8-14-19(21)23-20-15-9-11-17-22(20)24;1-7(2,3,4,5)6/h8-11,13-17H,3-7,12H2,1-2H3;/q+1;-1/b18-13-;