tert-butyl (E)-2-chloranyl-3-(trifluoromethyl)hept-2-enoate

Systemtic Name: tert-butyl (E)-2-chloranyl-3-(trifluoromethyl)hept-2-enoate Openeye Name: tert-butyl (E)-2-chloro-3-(trifluoromethyl)hept-2-enoate CAS Name: (E)-2-chloro-3-(trifluoromethyl)-2-heptenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-chloro-3-(trifluoromethyl)hept-2-enoate Traditional Name: (E)-2-chloro-3-(trifluoromethyl)hept-2-enoic acid tert-butyl ester Formula: C12H18ClF3O2 MolecularWeight: 286.71833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C(=O)OC(C)(C)C)Cl)C(F)(F)F

Isomeric SMILES

CCCC/C(=C(/C(=O)OC(C)(C)C)\Cl)/C(F)(F)F

InChI

InChI=1S/C12H18ClF3O2/c1-5-6-7-8(12(14,15)16)9(13)10(17)18-11(2,3)4/h5-7H2,1-4H3/b9-8+