3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosakis(fluoranyl)dodecyl 2,2-dimethylbutanoate

Systemtic Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosakis(fluoranyl)dodecyl 2,2-dimethylbutanoate Openeye Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl ester IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heneicosafluorododecyl ester Formula: C18H15F21O2 MolecularWeight: 662.276967

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCCC(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

Isomeric SMILES

CCC(C)(C)C(=O)OCCC(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

InChI

InChI=1S/C18H15F21O2/c1-4-8(2,3)7(40)41-6-5-9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)39/h4-6H2,1-3H3