butyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate

Systemtic Name: butyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate Openeye Name: butyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]acetic acid butyl ester Formula: C13H14F3NO6S2 MolecularWeight: 401.37857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3NO6S2/c1-2-3-6-23-12(18)8-24-11-5-4-9(7-10(11)17(19)20)25(21,22)13(14,15)16/h4-5,7H,2-3,6,8H2,1H3