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

Systemtic Name: 5-(4-butoxyphenyl)-2-heptyl-2-methyl-1,3-dioxane Openeye Name: 5-(4-butoxyphenyl)-2-heptyl-2-methyl-1,3-dioxane CAS Name: 5-(4-butoxyphenyl)-2-heptyl-2-methyl-1,3-dioxane IUPAC Name: 5-(4-butoxyphenyl)-2-heptyl-2-methyl-1,3-dioxane Traditional Name: 5-(4-butoxyphenyl)-2-heptyl-2-methyl-1,3-dioxane Formula: C22H36O3 MolecularWeight: 348.51944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36O3/c1-4-6-8-9-10-15-22(3)24-17-20(18-25-22)19-11-13-21(14-12-19)23-16-7-5-2/h11-14,20H,4-10,15-18H2,1-3H3