5-(4-methylhexyl)-4-[3-[(E)-oct-5-enoxy]-4-phenyl-phenyl]-1,3-dioxane

Systemtic Name: 5-(4-methylhexyl)-4-[3-[(E)-oct-5-enoxy]-4-phenyl-phenyl]-1,3-dioxane Openeye Name: 5-(4-methylhexyl)-4-[3-[(E)-oct-5-enoxy]-4-phenyl-phenyl]-1,3-dioxane CAS Name: 5-(4-methylhexyl)-4-[3-[(E)-oct-5-enoxy]-4-phenylphenyl]-1,3-dioxane IUPAC Name: 5-(4-methylhexyl)-4-[3-[(E)-oct-5-enoxy]-4-phenylphenyl]-1,3-dioxane Traditional Name: 5-(4-methylhexyl)-4-[3-[(E)-oct-5-enoxy]-4-phenyl-phenyl]-1,3-dioxane Formula: C31H44O3 MolecularWeight: 464.67926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C=C/CCCCOC1=C(C=CC(=C1)C2C(COCO2)CCCC(C)CC)C3=CC=CC=C3

InChI

InChI=1S/C31H44O3/c1-4-6-7-8-9-13-21-33-30-22-27(19-20-29(30)26-16-11-10-12-17-26)31-28(23-32-24-34-31)18-14-15-25(3)5-2/h6-7,10-12,16-17,19-20,22,25,28,31H,4-5,8-9,13-15,18,21,23-24H2,1-3H3/b7-6+