hexadecyl 2,3,4-tris(fluoranyl)benzoate

Systemtic Name: hexadecyl 2,3,4-tris(fluoranyl)benzoate Openeye Name: hexadecyl 2,3,4-trifluorobenzoate CAS Name: 2,3,4-trifluorobenzoic acid hexadecyl ester IUPAC Name: hexadecyl 2,3,4-trifluorobenzoate Traditional Name: 2,3,4-trifluorobenzoic acid cetyl ester Formula: C23H35F3O2 MolecularWeight: 400.51801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)F)F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)F)F)F

InChI

InChI=1S/C23H35F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-23(27)19-16-17-20(24)22(26)21(19)25/h16-17H,2-15,18H2,1H3