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

Systemtic Name: 5-[(E)-non-6-enyl]-4-(3-octan-2-yloxy-4-phenyl-phenyl)-1,3-dioxane Openeye Name: 4-[3-(1-methylheptoxy)-4-phenyl-phenyl]-5-[(E)-non-6-enyl]-1,3-dioxane CAS Name: 5-[(E)-non-6-enyl]-4-(3-octan-2-yloxy-4-phenylphenyl)-1,3-dioxane IUPAC Name: 5-[(E)-non-6-enyl]-4-(3-octan-2-yloxy-4-phenylphenyl)-1,3-dioxane Traditional Name: 4-[3-(1-methylheptoxy)-4-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=C(C=CC(=C1)C2C(COCO2)CCCCCC=CCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)OC1=C(C=CC(=C1)C2C(COCO2)CCCCC/C=C/CC)C3=CC=CC=C3

InChI

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