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

Systemtic Name: (2-methoxy-4-methyl-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-methoxy-4-methyl-phenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-methoxy-4-methylphenyl) ester IUPAC Name: (2-methoxy-4-methylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-methoxy-4-methyl-phenyl) ester Formula: C22H16O6S MolecularWeight: 408.42384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)OC

InChI

InChI=1S/C22H16O6S/c1-13-7-10-17(18(11-13)27-2)28-22(24)14-8-9-16-20(12-14)29(25,26)19-6-4-3-5-15(19)21(16)23/h3-12H,1-2H3