4-(3-octan-2-yloxy-4-phenyl-phenyl)-5-pent-4-enyl-1,3-dioxane

Systemtic Name: 4-(3-octan-2-yloxy-4-phenyl-phenyl)-5-pent-4-enyl-1,3-dioxane Openeye Name: 4-[3-(1-methylheptoxy)-4-phenyl-phenyl]-5-pent-4-enyl-1,3-dioxane CAS Name: 4-(3-octan-2-yloxy-4-phenylphenyl)-5-pent-4-enyl-1,3-dioxane IUPAC Name: 4-(3-octan-2-yloxy-4-phenylphenyl)-5-pent-4-enyl-1,3-dioxane Traditional Name: 4-[3-(1-methylheptoxy)-4-phenyl-phenyl]-5-pent-4-enyl-1,3-dioxane Formula: C29H40O3 MolecularWeight: 436.6261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=CC(=C1)C2C(COCO2)CCCC=C)C3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)OC1=C(C=CC(=C1)C2C(COCO2)CCCC=C)C3=CC=CC=C3

InChI

InChI=1S/C29H40O3/c1-4-6-8-11-14-23(3)32-28-20-25(18-19-27(28)24-15-12-9-13-16-24)29-26(17-10-7-5-2)21-30-22-31-29/h5,9,12-13,15-16,18-20,23,26,29H,2,4,6-8,10-11,14,17,21-22H2,1,3H3