2-phenethylidene-5,5-bis[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]-1,3-dioxane

Systemtic Name: 2-phenethylidene-5,5-bis[3,3,4,4,5,5,6,6,7,7,8,8,8-tridecakis(fluoranyl)octyl]-1,3-dioxane Openeye Name: 2-phenethylidene-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxane CAS Name: 2-phenethylidene-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxane IUPAC Name: 2-phenethylidene-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxane Traditional Name: 2-phenethylidene-5,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-dioxane Formula: C28H20F26O2 MolecularWeight: 882.415683

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC(=CCC2=CC=CC=C2)O1)(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

C1C(COC(=CCC2=CC=CC=C2)O1)(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/C28H20F26O2/c29-17(30,19(33,34)21(37,38)23(41,42)25(45,46)27(49,50)51)10-8-16(12-55-15(56-13-16)7-6-14-4-2-1-3-5-14)9-11-18(31,32)20(35,36)22(39,40)24(43,44)26(47,48)28(52,53)54/h1-5,7H,6,8-13H2