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

Systemtic Name: phenacyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: phenacyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid phenacyl ester IUPAC Name: phenacyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid phenacyl ester Formula: C22H14O6S MolecularWeight: 406.40796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H14O6S/c23-18(14-6-2-1-3-7-14)13-28-22(25)15-10-11-17-20(12-15)29(26,27)19-9-5-4-8-16(19)21(17)24/h1-12H,13H2