(5-fluoranyl-2-methoxy-phenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (5-fluoranyl-2-methoxy-phenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (5-fluoro-2-methoxy-phenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (5-fluoro-2-methoxyphenyl)methyl ester IUPAC Name: (5-fluoro-2-methoxyphenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (5-fluoro-2-methoxy-benzyl) ester Formula: C22H15FO6S MolecularWeight: 426.414303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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