bis[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl] 3-methylpentanedioate

Systemtic Name: bis[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecakis(fluoranyl)octyl] 3-methylpentanedioate Openeye Name: bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) 3-methylpentanedioate CAS Name: 3-methylpentanedioic acid bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) ester IUPAC Name: bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) 3-methylpentanedioate Traditional Name: 3-methylglutaric acid bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) ester Formula: C22H8F34O4 MolecularWeight: 982.242229

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)OC(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

CC(CC(=O)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)OC(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/C22H8F34O4/c1-4(2-5(57)59-21(53,54)17(43,44)13(35,36)9(27,28)7(23,24)11(31,32)15(39,40)19(47,48)49)3-6(58)60-22(55,56)18(45,46)14(37,38)10(29,30)8(25,26)12(33,34)16(41,42)20(50,51)52/h4H,2-3H2,1H3