(2,4-dichlorophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate

Systemtic Name: (2,4-dichlorophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate Openeye Name: (2,4-dichlorophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid (2,4-dichlorophenyl) ester IUPAC Name: (2,4-dichlorophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]acetic acid (2,4-dichlorophenyl) ester Formula: C15H8Cl2F3NO6S2 MolecularWeight: 490.25833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])SCC(=O)OC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)[N+](=O)[O-])SCC(=O)OC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H8Cl2F3NO6S2/c16-8-1-3-12(10(17)5-8)27-14(22)7-28-13-4-2-9(6-11(13)21(23)24)29(25,26)15(18,19)20/h1-6H,7H2