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

Systemtic Name: [9-(2-carboxythiophen-3-yl)-6-(dimethylamino)selenoxanthen-3-ylidene]-dimethyl-azanium hexafluorophosphate Openeye Name: [9-(2-carboxy-3-thienyl)-6-(dimethylamino)selenoxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate CAS Name: [9-(2-carboxy-3-thiophenyl)-6-(dimethylamino)-3-selenoxanthenylidene]-dimethylammonium hexafluorophosphate IUPAC Name: [9-(2-carboxythiophen-3-yl)-6-(dimethylamino)selenoxanthen-3-ylidene]-dimethylazanium hexafluorophosphate Traditional Name: [9-(2-carboxy-3-thienyl)-6-(dimethylamino)selenoxanthen-3-ylidene]-dimethyl-ammonium hexafluorophosphate Formula: C22H21F6N2O2PSSe MolecularWeight: 601.40352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3[Se]2)C4=C(SC=C4)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=C3[Se]2)C4=C(SC=C4)C(=O)O.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C22H20N2O2SSe.F6P/c1-23(2)13-5-7-15-18(11-13)28-19-12-14(24(3)4)6-8-16(19)20(15)17-9-10-27-21(17)22(25)26;1-7(2,3,4,5)6/h5-12H,1-4H3;/q;-1/p+1