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

Systemtic Name: octadecyl 2,3,4-tris(fluoranyl)benzoate Openeye Name: octadecyl 2,3,4-trifluorobenzoate CAS Name: 2,3,4-trifluorobenzoic acid octadecyl ester IUPAC Name: octadecyl 2,3,4-trifluorobenzoate Traditional Name: 2,3,4-trifluorobenzoic acid stearyl ester Formula: C25H39F3O2 MolecularWeight: 428.57117

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)F)F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=C(C(=C(C=C1)F)F)F

InChI

InChI=1S/C25H39F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-25(29)21-18-19-22(26)24(28)23(21)27/h18-19H,2-17,20H2,1H3