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

Systemtic Name: pentadecan-3-yl 2,3,4-tris(fluoranyl)benzoate Openeye Name: 1-ethyltridecyl 2,3,4-trifluorobenzoate CAS Name: 2,3,4-trifluorobenzoic acid pentadecan-3-yl ester IUPAC Name: pentadecan-3-yl 2,3,4-trifluorobenzoate Traditional Name: 2,3,4-trifluorobenzoic acid 1-ethyltridecyl ester Formula: C22H33F3O2 MolecularWeight: 386.49143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33F3O2/c1-3-5-6-7-8-9-10-11-12-13-14-17(4-2)27-22(26)18-15-16-19(23)21(25)20(18)24/h15-17H,3-14H2,1-2H3