[9-(5-carboxythiophen-2-yl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate

Systemtic Name: [9-(5-carboxythiophen-2-yl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate Openeye Name: [9-(5-carboxy-2-thienyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate CAS Name: [9-(5-carboxy-2-thiophenyl)-6-(dimethylamino)-3-thioxanthenylidene]-dimethylammonium hexafluorophosphate IUPAC Name: [9-(5-carboxythiophen-2-yl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethylazanium hexafluorophosphate Traditional Name: [9-(5-carboxy-2-thienyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate Formula: C22H21F6N2O2PS2 MolecularWeight: 554.50852

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC=C(S4)C(=O)O.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3S2)C4=CC=C(S4)C(=O)O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C22H20N2O2S2.F6P/c1-23(2)13-5-7-15-19(11-13)28-20-12-14(24(3)4)6-8-16(20)21(15)17-9-10-18(27-17)22(25)26;1-7(2,3,4,5)6/h5-12H,1-4H3;/q;-1/p+1