5-hexyl-2-[4-(4-octoxyphenyl)phenyl]-1,3-dioxane

Systemtic Name: 5-hexyl-2-[4-(4-octoxyphenyl)phenyl]-1,3-dioxane Openeye Name: 5-hexyl-2-[4-(4-octoxyphenyl)phenyl]-1,3-dioxane CAS Name: 5-hexyl-2-[4-(4-octoxyphenyl)phenyl]-1,3-dioxane IUPAC Name: 5-hexyl-2-[4-(4-octoxyphenyl)phenyl]-1,3-dioxane Traditional Name: 5-hexyl-2-[4-(4-octoxyphenyl)phenyl]-1,3-dioxane Formula: C30H44O3 MolecularWeight: 452.66856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3OCC(CO3)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3OCC(CO3)CCCCCC

InChI

InChI=1S/C30H44O3/c1-3-5-7-9-10-12-22-31-29-20-18-27(19-21-29)26-14-16-28(17-15-26)30-32-23-25(24-33-30)13-11-8-6-4-2/h14-21,25,30H,3-13,22-24H2,1-2H3