(4-pentylphenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate

Systemtic Name: (4-pentylphenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate Openeye Name: (4-pentylphenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate CAS Name: 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylate Traditional Name: 5-methyl-2-(4-propylcyclohexyl)-1,3-dioxane-5-carboxylic acid (4-amylphenyl) ester Formula: C26H40O4 MolecularWeight: 416.5934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)C3CCC(CC3)CCC)C

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2(COC(OC2)C3CCC(CC3)CCC)C

InChI

InChI=1S/C26H40O4/c1-4-6-7-9-21-12-16-23(17-13-21)30-25(27)26(3)18-28-24(29-19-26)22-14-10-20(8-5-2)11-15-22/h12-13,16-17,20,22,24H,4-11,14-15,18-19H2,1-3H3