2,6-dimethyl-9-(4-phenoxyphenyl)-2H-thianthren-5-ium hexafluorophosphate

Systemtic Name: 2,6-dimethyl-9-(4-phenoxyphenyl)-2H-thianthren-5-ium hexafluorophosphate Openeye Name: 2,6-dimethyl-9-(4-phenoxyphenyl)-2H-thianthren-5-ium hexafluorophosphate CAS Name: 2,6-dimethyl-9-(4-phenoxyphenyl)-2H-thianthren-5-ium hexafluorophosphate IUPAC Name: 2,6-dimethyl-9-(4-phenoxyphenyl)-2H-thianthren-5-ium hexafluorophosphate Traditional Name: 2,6-dimethyl-9-(4-phenoxyphenyl)-2H-thianthren-5-ium hexafluorophosphate Formula: C26H21F6OPS2 MolecularWeight: 558.53852

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC2=[S+]C3=C(C=CC(=C3SC2=C1)C4=CC=C(C=C4)OC5=CC=CC=C5)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1C=CC2=[S+]C3=C(C=CC(=C3SC2=C1)C4=CC=C(C=C4)OC5=CC=CC=C5)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C26H21OS2.F6P/c1-17-8-15-23-24(16-17)29-26-22(14-9-18(2)25(26)28-23)19-10-12-21(13-11-19)27-20-6-4-3-5-7-20;1-7(2,3,4,5)6/h3-17H,1-2H3;/q+1;-1