9,10,10-tris(oxidanylidene)-N-[4-[1,1,2,2-tetrakis(fluoranyl)ethoxy]-3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]phenyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[4-[1,1,2,2-tetrakis(fluoranyl)ethoxy]-3-[[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylamino]phenyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[4-(1,1,2,2-tetrafluoroethoxy)-3-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]phenyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[3-[[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]amino]-4-(1,1,2,2-tetrafluoroethoxy)phenyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[4-(1,1,2,2-tetrafluoroethoxy)-3-[(9,10,10-trioxothioxanthene-3-carbonyl)amino]phenyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[4-(1,1,2,2-tetrafluoroethoxy)-3-[(9,10,10-triketothioxanthene-3-carbonyl)amino]phenyl]thioxanthene-3-carboxamide Formula: C36H20F4N2O9S2 MolecularWeight: 764.675613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC(C(F)F)(F)F)NC(=O)C5=CC6=C(C=C5)C(=O)C7=CC=CC=C7S6(=O)=O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC(C(F)F)(F)F)NC(=O)C5=CC6=C(C=C5)C(=O)C7=CC=CC=C7S6(=O)=O

InChI

InChI=1S/C36H20F4N2O9S2/c37-35(38)36(39,40)51-26-14-11-20(41-33(45)18-9-12-23-29(15-18)52(47,48)27-7-3-1-5-21(27)31(23)43)17-25(26)42-34(46)19-10-13-24-30(16-19)53(49,50)28-8-4-2-6-22(28)32(24)44/h1-17,35H,(H,41,45)(H,42,46)