2-[2-[4-(4-butyl-2-fluoranyl-phenyl)phenyl]ethyl]-5-heptyl-1,3-dioxane

Systemtic Name: 2-[2-[4-(4-butyl-2-fluoranyl-phenyl)phenyl]ethyl]-5-heptyl-1,3-dioxane Openeye Name: 2-[2-[4-(4-butyl-2-fluoro-phenyl)phenyl]ethyl]-5-heptyl-1,3-dioxane CAS Name: 2-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethyl]-5-heptyl-1,3-dioxane IUPAC Name: 2-[2-[4-(4-butyl-2-fluorophenyl)phenyl]ethyl]-5-heptyl-1,3-dioxane Traditional Name: 2-[2-[4-(4-butyl-2-fluoro-phenyl)phenyl]ethyl]-5-heptyl-1,3-dioxane Formula: C29H41FO2 MolecularWeight: 440.633043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCCC1COC(OC1)CCC2=CC=C(C=C2)C3=C(C=C(C=C3)CCCC)F

InChI

InChI=1S/C29H41FO2/c1-3-5-7-8-9-11-25-21-31-29(32-22-25)19-15-23-12-16-26(17-13-23)27-18-14-24(10-6-4-2)20-28(27)30/h12-14,16-18,20,25,29H,3-11,15,19,21-22H2,1-2H3