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

Systemtic Name: 5-(4-butoxyphenyl)-2-hexyl-2-methyl-1,3-dioxane Openeye Name: 5-(4-butoxyphenyl)-2-hexyl-2-methyl-1,3-dioxane CAS Name: 5-(4-butoxyphenyl)-2-hexyl-2-methyl-1,3-dioxane IUPAC Name: 5-(4-butoxyphenyl)-2-hexyl-2-methyl-1,3-dioxane Traditional Name: 5-(4-butoxyphenyl)-2-hexyl-2-methyl-1,3-dioxane Formula: C21H34O3 MolecularWeight: 334.49286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(OCC(CO1)C2=CC=C(C=C2)OCCCC)C

Isomeric SMILES

CCCCCCC1(OCC(CO1)C2=CC=C(C=C2)OCCCC)C

InChI

InChI=1S/C21H34O3/c1-4-6-8-9-14-21(3)23-16-19(17-24-21)18-10-12-20(13-11-18)22-15-7-5-2/h10-13,19H,4-9,14-17H2,1-3H3