diethyl 2-[2,4,6-tris(trifluoromethylsulfonyl)cyclohexa-2,4-dien-1-yl]propanedioate

Systemtic Name: diethyl 2-[2,4,6-tris(trifluoromethylsulfonyl)cyclohexa-2,4-dien-1-yl]propanedioate Openeye Name: diethyl 2-[2,4,6-tris(trifluoromethylsulfonyl)cyclohexa-2,4-dien-1-yl]propanedioate CAS Name: 2-[2,4,6-tris(trifluoromethylsulfonyl)-1-cyclohexa-2,4-dienyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2,4,6-tris(trifluoromethylsulfonyl)cyclohexa-2,4-dien-1-yl]propanedioate Traditional Name: 2-(2,4,6-tritriflylcyclohexa-2,4-dien-1-yl)malonic acid diethyl ester Formula: C16H15F9O10S3 MolecularWeight: 634.464929

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C(C=C(C=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1C(C=C(C=C1S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(=O)OCC

InChI

InChI=1S/C16H15F9O10S3/c1-3-34-12(26)11(13(27)35-4-2)10-8(37(30,31)15(20,21)22)5-7(36(28,29)14(17,18)19)6-9(10)38(32,33)16(23,24)25/h5-6,8,10-11H,3-4H2,1-2H3