dodec-9-ynyl 2-(trifluoromethyl)benzoate

Systemtic Name: dodec-9-ynyl 2-(trifluoromethyl)benzoate Openeye Name: dodec-9-ynyl 2-(trifluoromethyl)benzoate CAS Name: 2-(trifluoromethyl)benzoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 2-(trifluoromethyl)benzoate Traditional Name: 2-(trifluoromethyl)benzoic acid dodec-9-ynyl ester Formula: C20H25F3O2 MolecularWeight: 354.40651

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCCCCCCCCOC(=O)C1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCC#CCCCCCCCCOC(=O)C1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C20H25F3O2/c1-2-3-4-5-6-7-8-9-10-13-16-25-19(24)17-14-11-12-15-18(17)20(21,22)23/h11-12,14-15H,2,5-10,13,16H2,1H3