ditert-butyl 2-[4,6-bis[2,2,2-tris(fluoranyl)ethoxy]-1,3,5-triazin-2-yl]propanedioate

Systemtic Name: ditert-butyl 2-[4,6-bis[2,2,2-tris(fluoranyl)ethoxy]-1,3,5-triazin-2-yl]propanedioate Openeye Name: ditert-butyl 2-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]propanedioate CAS Name: 2-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]propanedioate Traditional Name: 2-[4,6-bis(2,2,2-trifluoroethoxy)-s-triazin-2-yl]malonic acid ditert-butyl ester Formula: C18H23F6N3O6 MolecularWeight: 491.382139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)OCC(F)(F)F)OCC(F)(F)F)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C1=NC(=NC(=N1)OCC(F)(F)F)OCC(F)(F)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H23F6N3O6/c1-15(2,3)32-11(28)9(12(29)33-16(4,5)6)10-25-13(30-7-17(19,20)21)27-14(26-10)31-8-18(22,23)24/h9H,7-8H2,1-6H3