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

Systemtic Name: (2-cyanophenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (2-cyanophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (2-cyanobenzyl) ester Formula: C22H13NO5S MolecularWeight: 403.40732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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