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

Systemtic Name: 2-[2-[4-(4-butoxyphenyl)-3-fluoranyl-phenyl]ethyl]-5-heptyl-1,3-dioxane Openeye Name: 2-[2-[4-(4-butoxyphenyl)-3-fluoro-phenyl]ethyl]-5-heptyl-1,3-dioxane CAS Name: 2-[2-[4-(4-butoxyphenyl)-3-fluorophenyl]ethyl]-5-heptyl-1,3-dioxane IUPAC Name: 2-[2-[4-(4-butoxyphenyl)-3-fluorophenyl]ethyl]-5-heptyl-1,3-dioxane Traditional Name: 2-[2-[4-(4-butoxyphenyl)-3-fluoro-phenyl]ethyl]-5-heptyl-1,3-dioxane Formula: C29H41FO3 MolecularWeight: 456.632443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41FO3/c1-3-5-7-8-9-10-24-21-32-29(33-22-24)18-12-23-11-17-27(28(30)20-23)25-13-15-26(16-14-25)31-19-6-4-2/h11,13-17,20,24,29H,3-10,12,18-19,21-22H2,1-2H3