2-[4-(8H-thianthren-5-ium-1-yl)phenoxy]ethanol hexafluorophosphate

Systemtic Name: 2-[4-(8H-thianthren-5-ium-1-yl)phenoxy]ethanol hexafluorophosphate Openeye Name: 2-[4-(8H-thianthren-5-ium-1-yl)phenoxy]ethanol hexafluorophosphate CAS Name: 2-[4-(8H-thianthren-5-ium-1-yl)phenoxy]ethanol hexafluorophosphate IUPAC Name: 2-[4-(8H-thianthren-5-ium-1-yl)phenoxy]ethanol hexafluorophosphate Traditional Name: 2-[4-(8H-thianthren-5-ium-1-yl)phenoxy]ethanol hexafluorophosphate Formula: C20H17F6O2PS2 MolecularWeight: 498.44196

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=[S+]C3=CC=CC(=C3SC2=C1)C4=CC=C(C=C4)OCCO.F[P-](F)(F)(F)(F)F

Isomeric SMILES

C1C=CC2=[S+]C3=CC=CC(=C3SC2=C1)C4=CC=C(C=C4)OCCO.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C20H17O2S2.F6P/c21-12-13-22-15-10-8-14(9-11-15)16-4-3-7-19-20(16)24-18-6-2-1-5-17(18)23-19;1-7(2,3,4,5)6/h1,3-11,21H,2,12-13H2;/q+1;-1