(4-octoxyphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate

Systemtic Name: (4-octoxyphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-octoxyphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid (4-octoxyphenyl) ester IUPAC Name: (4-octoxyphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-methyl-1,3-dioxane-5-carboxylic acid (4-octoxyphenyl) ester Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2COC(OC2)(C)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(=O)C2COC(OC2)(C)CCCCC

InChI

InChI=1S/C25H40O5/c1-4-6-8-9-10-12-18-27-22-13-15-23(16-14-22)30-24(26)21-19-28-25(3,29-20-21)17-11-7-5-2/h13-16,21H,4-12,17-20H2,1-3H3