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

Systemtic Name: (2-chloranyl-4-fluoranyl-phenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-chloro-4-fluoro-phenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-chloro-4-fluorophenyl)methyl ester IUPAC Name: (2-chloro-4-fluorophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-chloro-4-fluoro-benzyl) ester Formula: C21H12ClFO5S MolecularWeight: 430.833383

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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)OCC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C21H12ClFO5S/c22-17-10-14(23)7-5-13(17)11-28-21(25)12-6-8-16-19(9-12)29(26,27)18-4-2-1-3-15(18)20(16)24/h1-10H,11H2