tert-butyl [1,1,4-tris(oxidanylidene)-2,5-diphenyl-thiophen-3-yl] carbonate

Systemtic Name: tert-butyl [1,1,4-tris(oxidanylidene)-2,5-diphenyl-thiophen-3-yl] carbonate Openeye Name: tert-butyl (1,1,4-trioxo-2,5-diphenyl-3-thienyl) carbonate CAS Name: carbonic acid tert-butyl (1,1,4-trioxo-2,5-diphenyl-3-thiophenyl) ester IUPAC Name: tert-butyl (1,1,4-trioxo-2,5-diphenylthiophen-3-yl) carbonate Traditional Name: carbonic acid tert-butyl (1,1,4-triketo-2,5-diphenyl-3-thienyl) ester Formula: C21H20O6S MolecularWeight: 400.4449

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)OC1=C(S(=O)(=O)C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)OC1=C(S(=O)(=O)C(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H20O6S/c1-21(2,3)27-20(23)26-17-16(22)18(14-10-6-4-7-11-14)28(24,25)19(17)15-12-8-5-9-13-15/h4-13,18H,1-3H3