pentadecan-5-yl 4-(trifluoromethyl)benzoate

Systemtic Name: pentadecan-5-yl 4-(trifluoromethyl)benzoate Openeye Name: 1-butylundecyl 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid pentadecan-5-yl ester IUPAC Name: pentadecan-5-yl 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid 1-butylundecyl ester Formula: C23H35F3O2 MolecularWeight: 400.51801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCC)OC(=O)C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCC(CCCC)OC(=O)C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C23H35F3O2/c1-3-5-7-8-9-10-11-12-14-21(13-6-4-2)28-22(27)19-15-17-20(18-16-19)23(24,25)26/h15-18,21H,3-14H2,1-2H3