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

Systemtic Name: (4-bromophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylethanoate Openeye Name: (4-bromophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate CAS Name: 2-[[2-nitro-4-(trifluoromethylsulfonyl)phenyl]thio]acetic acid (4-bromophenyl) ester IUPAC Name: (4-bromophenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfanylacetate Traditional Name: 2-[(2-nitro-4-triflyl-phenyl)thio]acetic acid (4-bromophenyl) ester Formula: C15H9BrF3NO6S2 MolecularWeight: 500.26427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1OC(=O)CSC2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-])Br

InChI

InChI=1S/C15H9BrF3NO6S2/c16-9-1-3-10(4-2-9)26-14(21)8-27-13-6-5-11(7-12(13)20(22)23)28(24,25)15(17,18)19/h1-7H,8H2