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

Systemtic Name: pentyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylethanoate Openeye Name: pentyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate CAS Name: 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetic acid pentyl ester IUPAC Name: pentyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate Traditional Name: 2-(2-nitro-4-triflyl-phenyl)sulfinylacetic acid amyl ester Formula: C14H16F3NO7S2 MolecularWeight: 431.40455

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3NO7S2/c1-2-3-4-7-25-13(19)9-26(22)12-6-5-10(8-11(12)18(20)21)27(23,24)14(15,16)17/h5-6,8H,2-4,7,9H2,1H3