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

Systemtic Name: [1,1,4-tris(oxidanylidene)-2,5-diphenyl-thiophen-3-yl] 2,2-dimethylpropanoate Openeye Name: (1,1,4-trioxo-2,5-diphenyl-3-thienyl) 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid (1,1,4-trioxo-2,5-diphenyl-3-thiophenyl) ester IUPAC Name: (1,1,4-trioxo-2,5-diphenylthiophen-3-yl) 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid (1,1,4-triketo-2,5-diphenyl-3-thienyl) ester Formula: C21H20O5S MolecularWeight: 384.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20O5S/c1-21(2,3)20(23)26-17-16(22)18(14-10-6-4-7-11-14)27(24,25)19(17)15-12-8-5-9-13-15/h4-13,18H,1-3H3