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

Systemtic Name: 2-cyanoethyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: 2-cyanoethyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid 2-cyanoethyl ester Formula: C12H9F3N2O7S2 MolecularWeight: 414.33427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)CC(=O)OCCC#N

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])S(=O)CC(=O)OCCC#N

InChI

InChI=1S/C12H9F3N2O7S2/c13-12(14,15)26(22,23)8-2-3-10(9(6-8)17(19)20)25(21)7-11(18)24-5-1-4-16/h2-3,6H,1,5,7H2