methyl 4-methoxy-3-(3-methylbutyl)-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 4-methoxy-3-(3-methylbutyl)-6-oxidanyl-2-oxidanylidene-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6-hydroxy-3-isopentyl-4-methoxy-2-oxo-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylate CAS Name: 6-hydroxy-4-methoxy-3-(3-methylbutyl)-2-oxo-6-(trifluoromethyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6-hydroxy-4-methoxy-3-(3-methylbutyl)-2-oxo-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylate Traditional Name: 6-hydroxy-3-isoamyl-2-keto-4-methoxy-6-(trifluoromethyl)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C15H21F3O5 MolecularWeight: 338.31945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(CC(C(C1=O)C(=O)OC)(C(F)(F)F)O)OC

Isomeric SMILES

CC(C)CCC1=C(CC(C(C1=O)C(=O)OC)(C(F)(F)F)O)OC

InChI

InChI=1S/C15H21F3O5/c1-8(2)5-6-9-10(22-3)7-14(21,15(16,17)18)11(12(9)19)13(20)23-4/h8,11,21H,5-7H2,1-4H3