2,2,3,3-tetrakis(fluoranyl)propyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfonylethanoate

Systemtic Name: 2,2,3,3-tetrakis(fluoranyl)propyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfonylethanoate Openeye Name: 2,2,3,3-tetrafluoropropyl 2-(4-methylsulfanyl-2-nitro-phenyl)sulfonylacetate CAS Name: 2-[4-(methylthio)-2-nitrophenyl]sulfonylacetic acid 2,2,3,3-tetrafluoropropyl ester IUPAC Name: 2,2,3,3-tetrafluoropropyl 2-(4-methylsulfanyl-2-nitrophenyl)sulfonylacetate Traditional Name: 2-[4-(methylthio)-2-nitro-phenyl]sulfonylacetic acid 2,2,3,3-tetrafluoropropyl ester Formula: C12H11F4NO6S2 MolecularWeight: 405.342453

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)S(=O)(=O)CC(=O)OCC(C(F)F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC(=C(C=C1)S(=O)(=O)CC(=O)OCC(C(F)F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H11F4NO6S2/c1-24-7-2-3-9(8(4-7)17(19)20)25(21,22)5-10(18)23-6-12(15,16)11(13)14/h2-4,11H,5-6H2,1H3