tridecan-4-yl 3-(trifluoromethyl)benzoate

Systemtic Name: tridecan-4-yl 3-(trifluoromethyl)benzoate Openeye Name: 1-propyldecyl 3-(trifluoromethyl)benzoate CAS Name: 3-(trifluoromethyl)benzoic acid tridecan-4-yl ester IUPAC Name: tridecan-4-yl 3-(trifluoromethyl)benzoate Traditional Name: 3-(trifluoromethyl)benzoic acid 1-propyldecyl ester Formula: C21H31F3O2 MolecularWeight: 372.46485

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31F3O2/c1-3-5-6-7-8-9-10-15-19(12-4-2)26-20(25)17-13-11-14-18(16-17)21(22,23)24/h11,13-14,16,19H,3-10,12,15H2,1-2H3