2-methoxyethoxymethyl 2-[2-methylperoxycarbonyl-4-(2-methylpropylcarbamoyl)phenyl]-5-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: 2-methoxyethoxymethyl 2-[2-methylperoxycarbonyl-4-(2-methylpropylcarbamoyl)phenyl]-5-(trifluoromethylsulfonyloxy)benzoate Openeye Name: 2-methoxyethoxymethyl 2-[4-(isobutylcarbamoyl)-2-methylperoxycarbonyl-phenyl]-5-(trifluoromethylsulfonyloxy)benzoate CAS Name: 2-[2-[methyldioxy(oxo)methyl]-4-[(2-methylpropylamino)-oxomethyl]phenyl]-5-(trifluoromethylsulfonyloxy)benzoic acid 2-methoxyethoxymethyl ester IUPAC Name: 2-methoxyethoxymethyl 2-[2-methylperoxycarbonyl-4-(2-methylpropylcarbamoyl)phenyl]-5-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 2-[4-(isobutylcarbamoyl)-2-methylperoxycarbonyl-phenyl]-5-triflyloxy-benzoic acid 2-methoxyethoxymethyl ester Formula: C25H28F3NO11S MolecularWeight: 607.55013

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)OS(=O)(=O)C(F)(F)F)C(=O)OCOCCOC)C(=O)OOC

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(C=C(C=C2)OS(=O)(=O)C(F)(F)F)C(=O)OCOCCOC)C(=O)OOC

InChI

InChI=1S/C25H28F3NO11S/c1-15(2)13-29-22(30)16-5-7-18(20(11-16)24(32)39-36-4)19-8-6-17(40-41(33,34)25(26,27)28)12-21(19)23(31)38-14-37-10-9-35-3/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H,29,30)