2-(4-heptyl-2-methyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dioxane

Systemtic Name: 2-(4-heptyl-2-methyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dioxane Openeye Name: 2-(4-heptyl-2-methyl-phenyl)-5-(4-pentylcyclohexyl)-1,3-dioxane CAS Name: 2-(4-heptyl-2-methylphenyl)-5-(4-pentylcyclohexyl)-1,3-dioxane IUPAC Name: 2-(4-heptyl-2-methylphenyl)-5-(4-pentylcyclohexyl)-1,3-dioxane Traditional Name: 5-(4-amylcyclohexyl)-2-(4-heptyl-2-methyl-phenyl)-1,3-dioxane Formula: C29H48O2 MolecularWeight: 428.69022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2OCC(CO2)C3CCC(CC3)CCCCC)C

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2OCC(CO2)C3CCC(CC3)CCCCC)C

InChI

InChI=1S/C29H48O2/c1-4-6-8-9-11-13-25-16-19-28(23(3)20-25)29-30-21-27(22-31-29)26-17-14-24(15-18-26)12-10-7-5-2/h16,19-20,24,26-27,29H,4-15,17-18,21-22H2,1-3H3