methyl 2-[4-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfonyl]-2-nitro-phenyl]sulfinylethanoate

Systemtic Name: methyl 2-[4-[1,1,2,2,3,3,3-heptakis(fluoranyl)propylsulfonyl]-2-nitro-phenyl]sulfinylethanoate Openeye Name: methyl 2-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-2-nitro-phenyl]sulfinylacetate CAS Name: 2-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-2-nitrophenyl]sulfinylacetic acid methyl ester IUPAC Name: methyl 2-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-2-nitrophenyl]sulfinylacetate Traditional Name: 2-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)-2-nitro-phenyl]sulfinylacetic acid methyl ester Formula: C12H8F7NO7S2 MolecularWeight: 475.313242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F7NO7S2/c1-27-9(21)5-28(24)8-3-2-6(4-7(8)20(22)23)29(25,26)12(18,19)10(13,14)11(15,16)17/h2-4H,5H2,1H3