2-butyl-3,4-dihydro-1H-isothiochromen-2-ium hexafluorophosphate

Systemtic Name: 2-butyl-3,4-dihydro-1H-isothiochromen-2-ium hexafluorophosphate Openeye Name: 2-butylisothiochroman-2-ium hexafluorophosphate CAS Name: 2-butyl-3,4-dihydro-1H-2-benzothiopyran-2-ium hexafluorophosphate IUPAC Name: 2-butyl-3,4-dihydro-1H-isothiochromen-2-ium hexafluorophosphate Traditional Name: 2-butylisothiochroman-2-ium hexafluorophosphate Formula: C13H19F6PS MolecularWeight: 352.31914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[S+]1CCC2=CC=CC=C2C1.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCCC[S+]1CCC2=CC=CC=C2C1.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C13H19S.F6P/c1-2-3-9-14-10-8-12-6-4-5-7-13(12)11-14;1-7(2,3,4,5)6/h4-7H,2-3,8-11H2,1H3;/q+1;-1