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

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H15FO6S MolecularWeight: 426.414303

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)F

InChI

InChI=1S/C22H15FO6S/c1-28-18-9-6-13(10-17(18)23)12-29-22(25)14-7-8-16-20(11-14)30(26,27)19-5-3-2-4-15(19)21(16)24/h2-11H,12H2,1H3