ethyl 9-oxidanylidene-3-(phenylsulfonyl)thioxanthene-1-carboxylate

Systemtic Name: ethyl 9-oxidanylidene-3-(phenylsulfonyl)thioxanthene-1-carboxylate Openeye Name: ethyl 3-(benzenesulfonyl)-9-oxo-thioxanthene-1-carboxylate CAS Name: 3-(benzenesulfonyl)-9-oxo-1-thioxanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzenesulfonyl)-9-oxothioxanthene-1-carboxylate Traditional Name: 3-besyl-9-keto-thioxanthene-1-carboxylic acid ethyl ester Formula: C22H16O5S2 MolecularWeight: 424.48944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC(=CC2=C1C(=O)C3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H16O5S2/c1-2-27-22(24)17-12-15(29(25,26)14-8-4-3-5-9-14)13-19-20(17)21(23)16-10-6-7-11-18(16)28-19/h3-13H,2H2,1H3