O5-tetradecyl O1-[2,2,4-tris(fluoranyl)but-3-ynyl] 2-ethyl-2,4-dimethyl-pentanedioate

Systemtic Name: O5-tetradecyl O1-[2,2,4-tris(fluoranyl)but-3-ynyl] 2-ethyl-2,4-dimethyl-pentanedioate Openeye Name: O5-tetradecyl O1-(2,2,4-trifluorobut-3-ynyl) 2-ethyl-2,4-dimethyl-pentanedioate CAS Name: 2-ethyl-2,4-dimethylpentanedioic acid O5-tetradecyl ester O1-(2,2,4-trifluorobut-3-ynyl) ester IUPAC Name: 5-O-tetradecyl 1-O-(2,2,4-trifluorobut-3-ynyl) 2-ethyl-2,4-dimethylpentanedioate Traditional Name: 2-ethyl-2,4-dimethyl-glutaric acid O5-myristyl ester O1-(2,2,4-trifluorobut-3-ynyl) ester Formula: C27H45F3O4 MolecularWeight: 490.63901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC(=O)C(C)CC(C)(CC)C(=O)OCC(C#CF)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCOC(=O)C(C)CC(C)(CC)C(=O)OCC(C#CF)(F)F

InChI

InChI=1S/C27H45F3O4/c1-5-7-8-9-10-11-12-13-14-15-16-17-20-33-24(31)23(3)21-26(4,6-2)25(32)34-22-27(29,30)18-19-28/h23H,5-17,20-22H2,1-4H3