diethyl 2-[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-henicosakis(fluoranyl)tetradecyl]propanedioate

Systemtic Name: diethyl 2-[5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-henicosakis(fluoranyl)tetradecyl]propanedioate Openeye Name: diethyl 2-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-henicosafluorotetradecyl)propanedioate CAS Name: 2-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heneicosafluorotetradecyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-henicosafluorotetradecyl)propanedioate Traditional Name: 2-(5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heneicosafluorotetradecyl)malonic acid diethyl ester Formula: C21H19F21O4 MolecularWeight: 734.339627

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCC(C(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)(F)F)(F)F)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCCC(C(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)(F)F)(F)F)C(=O)OCC

InChI

InChI=1S/C21H19F21O4/c1-3-45-10(43)9(11(44)46-4-2)7-5-6-8-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)42/h9H,3-8H2,1-2H3