diethyl 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-nitro-propanedioate

Systemtic Name: diethyl 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-nitro-propanedioate Openeye Name: diethyl 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-nitro-propanedioate CAS Name: 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-nitropropanedioic acid diethyl ester IUPAC Name: diethyl 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]-2-nitropropanedioate Traditional Name: 2-(2,2-ditriflylethyl)-2-nitro-malonic acid diethyl ester Formula: C11H13F6NO10S2 MolecularWeight: 497.342039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)(C(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C11H13F6NO10S2/c1-3-27-7(19)9(18(21)22,8(20)28-4-2)5-6(29(23,24)10(12,13)14)30(25,26)11(15,16)17/h6H,3-5H2,1-2H3