tridec-2-ynyl 3-(trifluoromethyl)benzoate

Systemtic Name: tridec-2-ynyl 3-(trifluoromethyl)benzoate Openeye Name: tridec-2-ynyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid tridec-2-ynyl ester IUPAC Name: tridec-2-ynyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid tridec-2-ynyl ester Formula: C21H27F3O2 MolecularWeight: 368.43309

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC#CCOC(=O)C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCC#CCOC(=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C21H27F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-26-20(25)18-14-13-15-19(17-18)21(22,23)24/h13-15,17H,2-10,16H2,1H3