butyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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