trifluoromethyl 2,4-ditert-butyl-1-(trideuteriomethyl)cyclopenta-2,4-diene-1-carboxylate

Systemtic Name: trifluoromethyl 2,4-ditert-butyl-1-(trideuteriomethyl)cyclopenta-2,4-diene-1-carboxylate Openeye Name: trifluoromethyl 2,4-ditert-butyl-1-(trideuteriomethyl)cyclopenta-2,4-diene-1-carboxylate CAS Name: 2,4-ditert-butyl-1-(trideuteriomethyl)-1-cyclopenta-2,4-dienecarboxylic acid trifluoromethyl ester IUPAC Name: trifluoromethyl 2,4-ditert-butyl-1-(trideuteriomethyl)cyclopenta-2,4-diene-1-carboxylate Traditional Name: 2,4-ditert-butyl-1-(trideuteriomethyl)cyclopenta-2,4-diene-1-carboxylic acid trifluoromethyl ester Formula: C16H23F3O2 MolecularWeight: 307.366315

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C=C1C(C)(C)C)C(C)(C)C)C(=O)OC(F)(F)F

Isomeric SMILES

[2H]C([2H])([2H])C1(C=C(C=C1C(C)(C)C)C(C)(C)C)C(=O)OC(F)(F)F

InChI

InChI=1S/C16H23F3O2/c1-13(2,3)10-8-11(14(4,5)6)15(7,9-10)12(20)21-16(17,18)19/h8-9H,1-7H3/i7D3