1-[2-hex-1-ynyl-5-(trifluoromethyl)phenyl]but-2-ynyl 2,2-dimethylpropanoate

Systemtic Name: 1-[2-hex-1-ynyl-5-(trifluoromethyl)phenyl]but-2-ynyl 2,2-dimethylpropanoate Openeye Name: 1-[2-hex-1-ynyl-5-(trifluoromethyl)phenyl]but-2-ynyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 1-[2-hex-1-ynyl-5-(trifluoromethyl)phenyl]but-2-ynyl ester IUPAC Name: 1-[2-hex-1-ynyl-5-(trifluoromethyl)phenyl]but-2-ynyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 1-[2-hex-1-ynyl-5-(trifluoromethyl)phenyl]but-2-ynyl ester Formula: C22H25F3O2 MolecularWeight: 378.42791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=C(C=C1)C(F)(F)F)C(C#CC)OC(=O)C(C)(C)C

Isomeric SMILES

CCCCC#CC1=C(C=C(C=C1)C(F)(F)F)C(C#CC)OC(=O)C(C)(C)C

InChI

InChI=1S/C22H25F3O2/c1-6-8-9-10-12-16-13-14-17(22(23,24)25)15-18(16)19(11-7-2)27-20(26)21(3,4)5/h13-15,19H,6,8-9H2,1-5H3