[9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate

Systemtic Name: [9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate Openeye Name: [9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate CAS Name: [9-(2-carboxyphenyl)-6-(dimethylamino)-3-thioxanthenylidene]-dimethylammonium hexafluorophosphate IUPAC Name: [9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethylazanium hexafluorophosphate Traditional Name: [9-(2-carboxyphenyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate Formula: C24H23F6N2O2PS MolecularWeight: 548.4808

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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=CC=C4C(=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=CC=C4C(=O)O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C24H22N2O2S.F6P/c1-25(2)15-9-11-19-21(13-15)29-22-14-16(26(3)4)10-12-20(22)23(19)17-7-5-6-8-18(17)24(27)28;1-7(2,3,4,5)6/h5-14H,1-4H3;/q;-1/p+1