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

Systemtic Name: (3-cyanophenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3-cyanophenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3-cyanophenyl) ester Formula: C21H11NO5S MolecularWeight: 389.38074

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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=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H11NO5S/c22-12-13-4-3-5-15(10-13)27-21(24)14-8-9-17-19(11-14)28(25,26)18-7-2-1-6-16(18)20(17)23/h1-11H