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

Systemtic Name: 5-dodecyl-2-[4-(3-fluoranylnonan-4-yl)cyclohexa-1,3-dien-1-yl]-1,3-dioxane Openeye Name: 5-dodecyl-2-[4-[1-(1-fluoropropyl)hexyl]cyclohexa-1,3-dien-1-yl]-1,3-dioxane CAS Name: 5-dodecyl-2-[4-(3-fluorononan-4-yl)-1-cyclohexa-1,3-dienyl]-1,3-dioxane IUPAC Name: 5-dodecyl-2-[4-(3-fluorononan-4-yl)cyclohexa-1,3-dien-1-yl]-1,3-dioxane Traditional Name: 2-[4-[1-(1-fluoropropyl)hexyl]cyclohexa-1,3-dien-1-yl]-5-lauryl-1,3-dioxane Formula: C31H55FO2 MolecularWeight: 478.765603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1COC(OC1)C2=CC=C(CC2)C(CCCCC)C(CC)F

Isomeric SMILES

CCCCCCCCCCCCC1COC(OC1)C2=CC=C(CC2)C(CCCCC)C(CC)F

InChI

InChI=1S/C31H55FO2/c1-4-7-9-10-11-12-13-14-15-17-18-26-24-33-31(34-25-26)28-22-20-27(21-23-28)29(30(32)6-3)19-16-8-5-2/h20,22,26,29-31H,4-19,21,23-25H2,1-3H3