[4-(4-cyanophenyl)phenyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H15NO5S MolecularWeight: 465.4767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H15NO5S/c28-16-17-5-7-18(8-6-17)19-9-12-21(13-10-19)33-27(30)20-11-14-23-25(15-20)34(31,32)24-4-2-1-3-22(24)26(23)29/h1-15H