methylsulfonylmethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: methylsulfonylmethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: methylsulfonylmethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid methylsulfonylmethyl ester IUPAC Name: methylsulfonylmethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid mesylmethyl ester Formula: C16H11ClF3NO7S MolecularWeight: 453.77425

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClF3NO7S/c1-29(25,26)8-27-15(22)11-7-10(3-4-13(11)21(23)24)28-14-5-2-9(6-12(14)17)16(18,19)20/h2-7H,8H2,1H3