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

Systemtic Name: ethyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: ethyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid ethyl ester IUPAC Name: ethyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid ethyl ester Formula: C11H10F3NO7S2 MolecularWeight: 389.32481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10F3NO7S2/c1-2-22-10(16)6-23(19)9-4-3-7(5-8(9)15(17)18)24(20,21)11(12,13)14/h3-5H,2,6H2,1H3