2-[[3-[[3,5-bis[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]phenyl]methyl]-1,2,3-triazol-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[[3,5-bis[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl]phenyl]methyl]-1,2,3-triazol-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]methyl]triazol-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]methyl]-4-triazolyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)phenyl]methyl]triazol-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[3-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzyl]triazol-4-yl]methyl]isoindoline-1,3-quinone Formula: C34H12F34N4O2 MolecularWeight: 1154.430389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CN=NN3CC4=CC(=CC(=C4)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CN=NN3CC4=CC(=CC(=C4)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C34H12F34N4O2/c35-19(36,21(39,40)23(43,44)25(47,48)27(51,52)29(55,56)31(59,60)33(63,64)65)12-5-11(9-72-14(8-69-70-72)10-71-17(73)15-3-1-2-4-16(15)18(71)74)6-13(7-12)20(37,38)22(41,42)24(45,46)26(49,50)28(53,54)30(57,58)32(61,62)34(66,67)68/h1-8H,9-10H2