(1R,2S)-2-[[4-[1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosakis(fluoranyl)-9-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]heptadecan-9-yl]phenyl]methyl-methyl-amino]-1-phenyl-propan-1-ol

Systemtic Name: (1R,2S)-2-[[4-[1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosakis(fluoranyl)-9-[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]heptadecan-9-yl]phenyl]methyl-methyl-amino]-1-phenyl-propan-1-ol Openeye Name: (1R,2S)-2-[methyl-[[4-[4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1,1-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)nonyl]phenyl]methyl]amino]-1-phenyl-propan-1-ol CAS Name: (1R,2S)-2-[[4-[1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosafluoro-9-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)heptadecan-9-yl]phenyl]methyl-methylamino]-1-phenyl-1-propanol IUPAC Name: (1R,2S)-2-[[4-[1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-hexacosafluoro-9-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)heptadecan-9-yl]phenyl]methyl-methylamino]-1-phenylpropan-1-ol Traditional Name: (1R,2S)-2-[methyl-[4-[4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-1,1-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)nonyl]benzyl]amino]-1-phenyl-propan-1-ol Formula: C42H32F39NO MolecularWeight: 1307.647305

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)N(C)CC2=CC=C(C=C2)C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)CC2=CC=C(C=C2)C(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C42H32F39NO/c1-19(23(83)21-6-4-3-5-7-21)82(2)18-20-8-10-22(11-9-20)24(12-15-25(43,44)28(49,50)31(55,56)34(61,62)37(67,68)40(73,74)75,13-16-26(45,46)29(51,52)32(57,58)35(63,64)38(69,70)41(76,77)78)14-17-27(47,48)30(53,54)33(59,60)36(65,66)39(71,72)42(79,80)81/h3-11,19,23,83H,12-18H2,1-2H3/t19-,23-/m0/s1