(3-methylphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (3-methylphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: m-tolyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid m-tolyl ester Formula: C21H14O5S MolecularWeight: 378.39786

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H14O5S/c1-13-5-4-6-15(11-13)26-21(23)14-9-10-17-19(12-14)27(24,25)18-8-3-2-7-16(18)20(17)22/h2-12H,1H3