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

Systemtic Name: 5-(4-butylphenyl)-2-hexyl-2-methyl-1,3-dioxane Openeye Name: 5-(4-butylphenyl)-2-hexyl-2-methyl-1,3-dioxane CAS Name: 5-(4-butylphenyl)-2-hexyl-2-methyl-1,3-dioxane IUPAC Name: 5-(4-butylphenyl)-2-hexyl-2-methyl-1,3-dioxane Traditional Name: 5-(4-butylphenyl)-2-hexyl-2-methyl-1,3-dioxane Formula: C21H34O2 MolecularWeight: 318.49346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34O2/c1-4-6-8-9-15-21(3)22-16-20(17-23-21)19-13-11-18(12-14-19)10-7-5-2/h11-14,20H,4-10,15-17H2,1-3H3