N-[2-[2-(2-azanylethoxy)ethoxy]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)-N-(pyren-1-ylmethyl)octanamide; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: N-[2-[2-(2-azanylethoxy)ethoxy]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecakis(fluoranyl)-N-(pyren-1-ylmethyl)octanamide; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(pyren-1-ylmethyl)octanamide; 2,2,2-trifluoroacetic acid CAS Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(1-pyrenylmethyl)octanamide; 2,2,2-trifluoroacetic acid IUPAC Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(pyren-1-ylmethyl)octanamide; 2,2,2-trifluoroacetic acid Traditional Name: N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-(pyren-1-ylmethyl)caprylamide; 2,2,2-trifluoroacetic acid Formula: C33H26F18N2O5 MolecularWeight: 872.541198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CN(CCOCCOCCN)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CN(CCOCCOCCN)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C31H25F15N2O3.C2HF3O2/c32-25(33,26(34,35)27(36,37)28(38,39)29(40,41)30(42,43)31(44,45)46)24(49)48(11-13-51-15-14-50-12-10-47)16-20-7-6-19-5-4-17-2-1-3-18-8-9-21(20)23(19)22(17)18;3-2(4,5)1(6)7/h1-9H,10-16,47H2;(H,6,7)