hexadecan-4-yl 3-(trifluoromethyl)benzoate

Systemtic Name: hexadecan-4-yl 3-(trifluoromethyl)benzoate Openeye Name: 1-propyltridecyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid hexadecan-4-yl ester IUPAC Name: hexadecan-4-yl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid 1-propyltridecyl ester Formula: C24H37F3O2 MolecularWeight: 414.54459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCC(CCC)OC(=O)C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C24H37F3O2/c1-3-5-6-7-8-9-10-11-12-13-18-22(15-4-2)29-23(28)20-16-14-17-21(19-20)24(25,26)27/h14,16-17,19,22H,3-13,15,18H2,1-2H3