butan-2-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate

Systemtic Name: butan-2-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: sec-butyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid sec-butyl ester Formula: C13H14F3NO7S2 MolecularWeight: 417.37797

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3NO7S2/c1-3-8(2)24-12(18)7-25(21)11-5-4-9(6-10(11)17(19)20)26(22,23)13(14,15)16/h4-6,8H,3,7H2,1-2H3