(2-bromanyl-4-fluoranyl-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2-bromanyl-4-fluoranyl-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-bromo-4-fluoro-phenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-bromo-4-fluorophenyl) ester IUPAC Name: (2-bromo-4-fluorophenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-bromo-4-fluoro-phenyl) ester Formula: C20H10BrFO5S MolecularWeight: 461.257803

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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)OC4=C(C=C(C=C4)F)Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OC4=C(C=C(C=C4)F)Br

InChI

InChI=1S/C20H10BrFO5S/c21-15-10-12(22)6-8-16(15)27-20(24)11-5-7-14-18(9-11)28(25,26)17-4-2-1-3-13(17)19(14)23/h1-10H