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

Systemtic Name: [6-(dimethylamino)-9-(5-ethoxycarbonylthiophen-2-yl)thioxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate Openeye Name: [6-(dimethylamino)-9-(5-ethoxycarbonyl-2-thienyl)thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate CAS Name: [6-(dimethylamino)-9-(5-ethoxycarbonyl-2-thiophenyl)-3-thioxanthenylidene]-dimethylammonium hexafluorophosphate IUPAC Name: [6-(dimethylamino)-9-(5-ethoxycarbonylthiophen-2-yl)thioxanthen-3-ylidene]-dimethylazanium hexafluorophosphate Traditional Name: [9-(5-carbethoxy-2-thienyl)-6-(dimethylamino)thioxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate Formula: C24H25F6N2O2PS2 MolecularWeight: 582.56168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(S1)C2=C3C=CC(=[N+](C)C)C=C3SC4=C2C=CC(=C4)N(C)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(S1)C2=C3C=CC(=[N+](C)C)C=C3SC4=C2C=CC(=C4)N(C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C24H25N2O2S2.F6P/c1-6-28-24(27)20-12-11-19(29-20)23-17-9-7-15(25(2)3)13-21(17)30-22-14-16(26(4)5)8-10-18(22)23;1-7(2,3,4,5)6/h7-14H,6H2,1-5H3;/q+1;-1