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

Systemtic Name: 3-methylbutyl [1,1,4-tris(oxidanylidene)-2,5-diphenyl-thiophen-3-yl] carbonate Openeye Name: isopentyl (1,1,4-trioxo-2,5-diphenyl-3-thienyl) carbonate CAS Name: carbonic acid 3-methylbutyl (1,1,4-trioxo-2,5-diphenyl-3-thiophenyl) ester IUPAC Name: 3-methylbutyl (1,1,4-trioxo-2,5-diphenylthiophen-3-yl) carbonate Traditional Name: carbonic acid isoamyl (1,1,4-triketo-2,5-diphenyl-3-thienyl) ester Formula: C22H22O6S MolecularWeight: 414.47148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22O6S/c1-15(2)13-14-27-22(24)28-19-18(23)20(16-9-5-3-6-10-16)29(25,26)21(19)17-11-7-4-8-12-17/h3-12,15,20H,13-14H2,1-2H3