(3,4-dichlorophenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (3,4-dichlorophenyl)methyl 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: (3,4-dichlorophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid (3,4-dichlorobenzyl) ester Formula: C21H12Cl2O5S MolecularWeight: 447.28798

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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(=C(C=C4)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H12Cl2O5S/c22-16-8-5-12(9-17(16)23)11-28-21(25)13-6-7-15-19(10-13)29(26,27)18-4-2-1-3-14(18)20(15)24/h1-10H,11H2