O4-tert-butyl O3-methyl 1-(3-methylbutyl)-5-(trifluoromethylsulfonyloxy)pyrazole-3,4-dicarboxylate

Systemtic Name: O4-tert-butyl O3-methyl 1-(3-methylbutyl)-5-(trifluoromethylsulfonyloxy)pyrazole-3,4-dicarboxylate Openeye Name: O4-tert-butyl O3-methyl 1-isopentyl-5-(trifluoromethylsulfonyloxy)pyrazole-3,4-dicarboxylate CAS Name: 1-(3-methylbutyl)-5-(trifluoromethylsulfonyloxy)pyrazole-3,4-dicarboxylic acid O4-tert-butyl ester O3-methyl ester IUPAC Name: 4-O-tert-butyl 3-O-methyl 1-(3-methylbutyl)-5-(trifluoromethylsulfonyloxy)pyrazole-3,4-dicarboxylate Traditional Name: 1-isoamyl-5-triflyloxy-pyrazole-3,4-dicarboxylic acid O4-tert-butyl ester O3-methyl ester Formula: C16H23F3N2O7S MolecularWeight: 444.42323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=C(C(=N1)C(=O)OC)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

CC(C)CCN1C(=C(C(=N1)C(=O)OC)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C16H23F3N2O7S/c1-9(2)7-8-21-12(28-29(24,25)16(17,18)19)10(11(20-21)14(23)26-6)13(22)27-15(3,4)5/h9H,7-8H2,1-6H3