2-[1-(3-chloranyl-2-fluoranyl-phenyl)-4-methyl-3-octyl-cyclohexyl]-1,3-dioxane

Systemtic Name: 2-[1-(3-chloranyl-2-fluoranyl-phenyl)-4-methyl-3-octyl-cyclohexyl]-1,3-dioxane Openeye Name: 2-[1-(3-chloro-2-fluoro-phenyl)-4-methyl-3-octyl-cyclohexyl]-1,3-dioxane CAS Name: 2-[1-(3-chloro-2-fluorophenyl)-4-methyl-3-octylcyclohexyl]-1,3-dioxane IUPAC Name: 2-[1-(3-chloro-2-fluorophenyl)-4-methyl-3-octylcyclohexyl]-1,3-dioxane Traditional Name: 2-[1-(3-chloro-2-fluoro-phenyl)-4-methyl-3-octyl-cyclohexyl]-1,3-dioxane Formula: C25H38ClFO2 MolecularWeight: 425.019423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CC(CCC1C)(C2OCCCO2)C3=C(C(=CC=C3)Cl)F

Isomeric SMILES

CCCCCCCCC1CC(CCC1C)(C2OCCCO2)C3=C(C(=CC=C3)Cl)F

InChI

InChI=1S/C25H38ClFO2/c1-3-4-5-6-7-8-11-20-18-25(15-14-19(20)2,24-28-16-10-17-29-24)21-12-9-13-22(26)23(21)27/h9,12-13,19-20,24H,3-8,10-11,14-18H2,1-2H3