2-(3-fluoranyl-4-heptyl-phenyl)-5-propyl-1,3-dioxane

Systemtic Name: 2-(3-fluoranyl-4-heptyl-phenyl)-5-propyl-1,3-dioxane Openeye Name: 2-(3-fluoro-4-heptyl-phenyl)-5-propyl-1,3-dioxane CAS Name: 2-(3-fluoro-4-heptylphenyl)-5-propyl-1,3-dioxane IUPAC Name: 2-(3-fluoro-4-heptylphenyl)-5-propyl-1,3-dioxane Traditional Name: 2-(3-fluoro-4-heptyl-phenyl)-5-propyl-1,3-dioxane Formula: C20H31FO2 MolecularWeight: 322.457343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2OCC(CO2)CCC)F

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2OCC(CO2)CCC)F

InChI

InChI=1S/C20H31FO2/c1-3-5-6-7-8-10-17-11-12-18(13-19(17)21)20-22-14-16(9-4-2)15-23-20/h11-13,16,20H,3-10,14-15H2,1-2H3