(3,5-dimethylphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3,5-dimethylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3,5-dimethylphenyl) ester Formula: C22H16O5S MolecularWeight: 392.42444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16O5S/c1-13-9-14(2)11-16(10-13)27-22(24)15-7-8-18-20(12-15)28(25,26)19-6-4-3-5-17(19)21(18)23/h3-12H,1-2H3