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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H16O5S/c1-2-14-6-5-7-16(12-14)27-22(24)15-10-11-18-20(13-15)28(25,26)19-9-4-3-8-17(19)21(18)23/h3-13H,2H2,1H3