4-[3-(6-methyloctoxy)-4-phenyl-phenyl]-5-undec-10-enyl-1,3-dioxane

Systemtic Name: 4-[3-(6-methyloctoxy)-4-phenyl-phenyl]-5-undec-10-enyl-1,3-dioxane Openeye Name: 4-[3-(6-methyloctoxy)-4-phenyl-phenyl]-5-undec-10-enyl-1,3-dioxane CAS Name: 4-[3-(6-methyloctoxy)-4-phenylphenyl]-5-undec-10-enyl-1,3-dioxane IUPAC Name: 4-[3-(6-methyloctoxy)-4-phenylphenyl]-5-undec-10-enyl-1,3-dioxane Traditional Name: 4-[3-(6-methyloctoxy)-4-phenyl-phenyl]-5-undec-10-enyl-1,3-dioxane Formula: C36H54O3 MolecularWeight: 534.81216

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCCCOC1=C(C=CC(=C1)C2C(COCO2)CCCCCCCCCC=C)C3=CC=CC=C3

Isomeric SMILES

CCC(C)CCCCCOC1=C(C=CC(=C1)C2C(COCO2)CCCCCCCCCC=C)C3=CC=CC=C3

InChI

InChI=1S/C36H54O3/c1-4-6-7-8-9-10-11-12-16-23-33-28-37-29-39-36(33)32-24-25-34(31-21-17-13-18-22-31)35(27-32)38-26-19-14-15-20-30(3)5-2/h4,13,17-18,21-22,24-25,27,30,33,36H,1,5-12,14-16,19-20,23,26,28-29H2,2-3H3