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

Systemtic Name: 2-[4-[4-(4-butylcyclohexyl)-2-fluoranyl-phenyl]phenyl]-5-heptyl-1,3-dioxane Openeye Name: 2-[4-[4-(4-butylcyclohexyl)-2-fluoro-phenyl]phenyl]-5-heptyl-1,3-dioxane CAS Name: 2-[4-[4-(4-butylcyclohexyl)-2-fluorophenyl]phenyl]-5-heptyl-1,3-dioxane IUPAC Name: 2-[4-[4-(4-butylcyclohexyl)-2-fluorophenyl]phenyl]-5-heptyl-1,3-dioxane Traditional Name: 2-[4-[4-(4-butylcyclohexyl)-2-fluoro-phenyl]phenyl]-5-heptyl-1,3-dioxane Formula: C33H47FO2 MolecularWeight: 494.723483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4CCC(CC4)CCCC)F

Isomeric SMILES

CCCCCCCC1COC(OC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4CCC(CC4)CCCC)F

InChI

InChI=1S/C33H47FO2/c1-3-5-7-8-9-11-26-23-35-33(36-24-26)29-18-16-28(17-19-29)31-21-20-30(22-32(31)34)27-14-12-25(13-15-27)10-6-4-2/h16-22,25-27,33H,3-15,23-24H2,1-2H3