2-[4-(3-fluoranylnonan-4-yl)cyclohexa-1,3-dien-1-yl]-5-octyl-1,3-dioxane

Systemtic Name: 2-[4-(3-fluoranylnonan-4-yl)cyclohexa-1,3-dien-1-yl]-5-octyl-1,3-dioxane Openeye Name: 2-[4-[1-(1-fluoropropyl)hexyl]cyclohexa-1,3-dien-1-yl]-5-octyl-1,3-dioxane CAS Name: 2-[4-(3-fluorononan-4-yl)-1-cyclohexa-1,3-dienyl]-5-octyl-1,3-dioxane IUPAC Name: 2-[4-(3-fluorononan-4-yl)cyclohexa-1,3-dien-1-yl]-5-octyl-1,3-dioxane Traditional Name: 2-[4-[1-(1-fluoropropyl)hexyl]cyclohexa-1,3-dien-1-yl]-5-octyl-1,3-dioxane Formula: C27H47FO2 MolecularWeight: 422.659283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COC(OC1)C2=CC=C(CC2)C(CCCCC)C(CC)F

Isomeric SMILES

CCCCCCCCC1COC(OC1)C2=CC=C(CC2)C(CCCCC)C(CC)F

InChI

InChI=1S/C27H47FO2/c1-4-7-9-10-11-13-14-22-20-29-27(30-21-22)24-18-16-23(17-19-24)25(26(28)6-3)15-12-8-5-2/h16,18,22,25-27H,4-15,17,19-21H2,1-3H3