tridecan-3-yl 2,3,4-tris(fluoranyl)benzoate

Systemtic Name: tridecan-3-yl 2,3,4-tris(fluoranyl)benzoate Openeye Name: 1-ethylundecyl 2,3,4-trifluorobenzoate CAS Name: 2,3,4-trifluorobenzoic acid tridecan-3-yl ester IUPAC Name: tridecan-3-yl 2,3,4-trifluorobenzoate Traditional Name: 2,3,4-trifluorobenzoic acid 1-ethylundecyl ester Formula: C20H29F3O2 MolecularWeight: 358.43827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29F3O2/c1-3-5-6-7-8-9-10-11-12-15(4-2)25-20(24)16-13-14-17(21)19(23)18(16)22/h13-15H,3-12H2,1-2H3