O1-hexadecyl O3-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl] 2-azanylpropanedioate

Systemtic Name: O1-hexadecyl O3-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl] 2-azanylpropanedioate Openeye Name: O1-hexadecyl O3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-aminopropanedioate CAS Name: 2-aminopropanedioic acid O1-hexadecyl ester O3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester IUPAC Name: 1-O-hexadecyl 3-O-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) 2-aminopropanedioate Traditional Name: 2-aminomalonic acid O1-cetyl ester O3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) ester Formula: C27H40F13NO4 MolecularWeight: 689.590042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N

InChI

InChI=1S/C27H40F13NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-44-20(42)19(41)21(43)45-18-16-22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h19H,2-18,41H2,1H3