dodec-9-ynyl 3-(trifluoromethyl)benzoate

Systemtic Name: dodec-9-ynyl 3-(trifluoromethyl)benzoate Openeye Name: dodec-9-ynyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid dodec-9-ynyl ester IUPAC Name: dodec-9-ynyl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid dodec-9-ynyl ester Formula: C20H25F3O2 MolecularWeight: 354.40651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25F3O2/c1-2-3-4-5-6-7-8-9-10-11-15-25-19(24)17-13-12-14-18(16-17)20(21,22)23/h12-14,16H,2,5-11,15H2,1H3