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

Systemtic Name: 2-[2-[4-(4-butylphenyl)-3-fluoranyl-phenyl]ethyl]-5-heptyl-1,3-dioxane Openeye Name: 2-[2-[4-(4-butylphenyl)-3-fluoro-phenyl]ethyl]-5-heptyl-1,3-dioxane CAS Name: 2-[2-[4-(4-butylphenyl)-3-fluorophenyl]ethyl]-5-heptyl-1,3-dioxane IUPAC Name: 2-[2-[4-(4-butylphenyl)-3-fluorophenyl]ethyl]-5-heptyl-1,3-dioxane Traditional Name: 2-[2-[4-(4-butylphenyl)-3-fluoro-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=CC=C(C=C3)CCCC)F

Isomeric SMILES

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

InChI

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