1-[4-[5,5-bis[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]-1,3-dioxan-2-yl]phenyl]ethanone

Systemtic Name: 1-[4-[5,5-bis[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]-1,3-dioxan-2-yl]phenyl]ethanone Openeye Name: 1-[4-[5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxan-2-yl]phenyl]ethanone CAS Name: 1-[4-[5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxan-2-yl]phenyl]ethanone IUPAC Name: 1-[4-[5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxan-2-yl]phenyl]ethanone Traditional Name: 1-[4-[5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxan-2-yl]phenyl]ethanone Formula: C28H20F26O3 MolecularWeight: 898.415083

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2OCC(CO2)(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

CC(=O)C1=CC=C(C=C1)C2OCC(CO2)(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/C28H20F26O3/c1-12(55)13-2-4-14(5-3-13)15-56-10-16(11-57-15,6-8-17(29,30)19(33,34)21(37,38)23(41,42)25(45,46)27(49,50)51)7-9-18(31,32)20(35,36)22(39,40)24(43,44)26(47,48)28(52,53)54/h2-5,15H,6-11H2,1H3