5-(4-butylphenyl)-2-heptyl-2-methyl-1,3-dioxane

Systemtic Name: 5-(4-butylphenyl)-2-heptyl-2-methyl-1,3-dioxane Openeye Name: 5-(4-butylphenyl)-2-heptyl-2-methyl-1,3-dioxane CAS Name: 5-(4-butylphenyl)-2-heptyl-2-methyl-1,3-dioxane IUPAC Name: 5-(4-butylphenyl)-2-heptyl-2-methyl-1,3-dioxane Traditional Name: 5-(4-butylphenyl)-2-heptyl-2-methyl-1,3-dioxane Formula: C22H36O2 MolecularWeight: 332.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(OCC(CO1)C2=CC=C(C=C2)CCCC)C

Isomeric SMILES

CCCCCCCC1(OCC(CO1)C2=CC=C(C=C2)CCCC)C

InChI

InChI=1S/C22H36O2/c1-4-6-8-9-10-16-22(3)23-17-21(18-24-22)20-14-12-19(13-15-20)11-7-5-2/h12-15,21H,4-11,16-18H2,1-3H3