quinolin-8-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate

Systemtic Name: quinolin-8-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: 8-quinolyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid 8-quinolyl ester Formula: C18H11F3N2O7S2 MolecularWeight: 488.41435

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)OC(=O)CS(=O)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)OC(=O)CS(=O)C3=C(C=C(C=C3)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C18H11F3N2O7S2/c19-18(20,21)32(28,29)12-6-7-15(13(9-12)23(25)26)31(27)10-16(24)30-14-5-1-3-11-4-2-8-22-17(11)14/h1-9H,10H2