2-[3-fluoranyl-4-(4-heptylphenyl)phenyl]-5-pentyl-1,3-dioxane

Systemtic Name: 2-[3-fluoranyl-4-(4-heptylphenyl)phenyl]-5-pentyl-1,3-dioxane Openeye Name: 2-[3-fluoro-4-(4-heptylphenyl)phenyl]-5-pentyl-1,3-dioxane CAS Name: 2-[3-fluoro-4-(4-heptylphenyl)phenyl]-5-pentyl-1,3-dioxane IUPAC Name: 2-[3-fluoro-4-(4-heptylphenyl)phenyl]-5-pentyl-1,3-dioxane Traditional Name: 5-amyl-2-[3-fluoro-4-(4-heptylphenyl)phenyl]-1,3-dioxane Formula: C28H39FO2 MolecularWeight: 426.606463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3OCC(CO3)CCCCC)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3OCC(CO3)CCCCC)F

InChI

InChI=1S/C28H39FO2/c1-3-5-7-8-10-11-22-13-15-24(16-14-22)26-18-17-25(19-27(26)29)28-30-20-23(21-31-28)12-9-6-4-2/h13-19,23,28H,3-12,20-21H2,1-2H3