5-[(E)-non-6-enyl]-2-[4-(4-octan-2-yloxyphenyl)phenyl]-1,3-dioxane

Systemtic Name: 5-[(E)-non-6-enyl]-2-[4-(4-octan-2-yloxyphenyl)phenyl]-1,3-dioxane Openeye Name: 2-[4-[4-(1-methylheptoxy)phenyl]phenyl]-5-[(E)-non-6-enyl]-1,3-dioxane CAS Name: 5-[(E)-non-6-enyl]-2-[4-(4-octan-2-yloxyphenyl)phenyl]-1,3-dioxane IUPAC Name: 5-[(E)-non-6-enyl]-2-[4-(4-octan-2-yloxyphenyl)phenyl]-1,3-dioxane Traditional Name: 2-[4-[4-(1-methylheptoxy)phenyl]phenyl]-5-[(E)-non-6-enyl]-1,3-dioxane Formula: C33H48O3 MolecularWeight: 492.73242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3OCC(CO3)CCCCCC=CCC

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3OCC(CO3)CCCCC/C=C/CC

InChI

InChI=1S/C33H48O3/c1-4-6-8-10-11-12-14-16-28-25-34-33(35-26-28)31-19-17-29(18-20-31)30-21-23-32(24-22-30)36-27(3)15-13-9-7-5-2/h6,8,17-24,27-28,33H,4-5,7,9-16,25-26H2,1-3H3/b8-6+