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

Systemtic Name: cyanomethyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: cyanomethyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid cyanomethyl ester Formula: C16H9NO5S MolecularWeight: 327.31136

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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)OCC#N

Isomeric SMILES

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

InChI

InChI=1S/C16H9NO5S/c17-7-8-22-16(19)10-5-6-12-14(9-10)23(20,21)13-4-2-1-3-11(13)15(12)18/h1-6,9H,8H2