(4-imidazol-1-ylphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (4-imidazol-1-ylphenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (4-imidazol-1-ylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid [4-(1-imidazolyl)phenyl] ester IUPAC Name: (4-imidazol-1-ylphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (4-imidazol-1-ylphenyl) ester Formula: C23H14N2O5S MolecularWeight: 430.43266

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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)N5C=CN=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OC4=CC=C(C=C4)N5C=CN=C5

InChI

InChI=1S/C23H14N2O5S/c26-22-18-3-1-2-4-20(18)31(28,29)21-13-15(5-10-19(21)22)23(27)30-17-8-6-16(7-9-17)25-12-11-24-14-25/h1-14H