(2,6-dimethylphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2,6-dimethylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2,6-dimethylphenyl) ester Formula: C22H16O5S MolecularWeight: 392.42444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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