ethyl (E)-3-(trifluoromethyl)-5-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)pent-2-en-4-ynoate

Systemtic Name: ethyl (E)-3-(trifluoromethyl)-5-(2,2,6-trimethyl-1-oxidanyl-cyclohexyl)pent-2-en-4-ynoate Openeye Name: ethyl (E)-5-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-(trifluoromethyl)pent-2-en-4-ynoate CAS Name: (E)-5-(1-hydroxy-2,2,6-trimethylcyclohexyl)-3-(trifluoromethyl)pent-2-en-4-ynoic acid ethyl ester IUPAC Name: ethyl (E)-5-(1-hydroxy-2,2,6-trimethylcyclohexyl)-3-(trifluoromethyl)pent-2-en-4-ynoate Traditional Name: (E)-5-(1-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-(trifluoromethyl)pent-2-en-4-ynoic acid ethyl ester Formula: C17H23F3O3 MolecularWeight: 332.35793

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C#CC1(C(CCCC1(C)C)C)O)C(F)(F)F

Isomeric SMILES

CCOC(=O)/C=C(\C#CC1(C(CCCC1(C)C)C)O)/C(F)(F)F

InChI

InChI=1S/C17H23F3O3/c1-5-23-14(21)11-13(17(18,19)20)8-10-16(22)12(2)7-6-9-15(16,3)4/h11-12,22H,5-7,9H2,1-4H3/b13-11+