(2-oxidanylidene-2-thiophen-2-yl-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 9,10,10-tris(oxidanylidene)thioxanthene-3-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 9,10,10-trioxothioxanthene-3-carboxylate CAS Name: 9,10,10-trioxo-3-thioxanthenecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 9,10,10-trioxothioxanthene-3-carboxylate Traditional Name: 9,10,10-triketothioxanthene-3-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C20H12O6S2 MolecularWeight: 412.43568

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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(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C20H12O6S2/c21-15(16-5-3-9-27-16)11-26-20(23)12-7-8-14-18(10-12)28(24,25)17-6-2-1-4-13(17)19(14)22/h1-10H,11H2