(Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,17,17,17-octacosakis(fluoranyl)-2-(3-oxidanylbutyl)-15-(trifluoromethyl)heptadec-2-enoic acid

Systemtic Name: (Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,17,17,17-octacosakis(fluoranyl)-2-(3-oxidanylbutyl)-15-(trifluoromethyl)heptadec-2-enoic acid Openeye Name: (Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,17,17,17-octacosafluoro-2-(3-hydroxybutyl)-15-(trifluoromethyl)heptadec-2-enoic acid CAS Name: (Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,17,17,17-octacosafluoro-2-(3-hydroxybutyl)-15-(trifluoromethyl)-2-heptadecenoic acid IUPAC Name: (Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,17,17,17-octacosafluoro-2-(3-hydroxybutyl)-15-(trifluoromethyl)heptadec-2-enoic acid Traditional Name: (Z)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,16,16,17,17,17-octacosafluoro-2-(3-hydroxybutyl)-15-(trifluoromethyl)heptadec-2-enoic acid Formula: C22H11F31O3 MolecularWeight: 912.271439

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=CC(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)O)O

Isomeric SMILES

CC(CC/C(=C/C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/C(=O)O)O

InChI

InChI=1S/C22H11F31O3/c1-5(54)2-3-6(7(55)56)4-8(23,24)10(26,27)13(32,33)15(36,37)17(40,41)19(44,45)20(46,47)18(42,43)16(38,39)14(34,35)11(28,29)9(25,21(48,49)50)12(30,31)22(51,52)53/h4-5,54H,2-3H2,1H3,(H,55,56)/b6-4-