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

Systemtic Name: (3-cyanophenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3-cyanophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3-cyanobenzyl) ester Formula: C22H13NO5S MolecularWeight: 403.40732

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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)OCC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H13NO5S/c23-12-14-4-3-5-15(10-14)13-28-22(25)16-8-9-18-20(11-16)29(26,27)19-7-2-1-6-17(19)21(18)24/h1-11H,13H2