dimethyl 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-bromanyl-propanedioate

Systemtic Name: dimethyl 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-bromanyl-propanedioate Openeye Name: dimethyl 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-bromo-propanedioate CAS Name: 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-bromopropanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-bromopropanedioate Traditional Name: 2-bromo-2-(2,2-ditriflylethyl)malonic acid dimethyl ester Formula: C9H9BrF6O8S2 MolecularWeight: 503.187379

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(C(=O)OC)Br

Isomeric SMILES

COC(=O)C(CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(C(=O)OC)Br

InChI

InChI=1S/C9H9BrF6O8S2/c1-23-5(17)7(10,6(18)24-2)3-4(25(19,20)8(11,12)13)26(21,22)9(14,15)16/h4H,3H2,1-2H3