(4-cyano-2-methoxy-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (4-cyano-2-methoxy-phenyl) ester Formula: C22H13NO6S MolecularWeight: 419.40672

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H13NO6S/c1-28-18-10-13(12-23)6-9-17(18)29-22(25)14-7-8-16-20(11-14)30(26,27)19-5-3-2-4-15(19)21(16)24/h2-11H,1H3