propan-2-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylethanoate

Systemtic Name: propan-2-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylethanoate Openeye Name: isopropyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylacetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfonylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfonylacetic acid isopropyl ester Formula: C12H12F3NO8S2 MolecularWeight: 419.35079

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)CS(=O)(=O)C1=C(C=C(C=C1)S(=O)(=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H12F3NO8S2/c1-7(2)24-11(17)6-25(20,21)10-4-3-8(5-9(10)16(18)19)26(22,23)12(13,14)15/h3-5,7H,6H2,1-2H3