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

Systemtic Name: (4-heptylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-heptylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-methyl-1,3-dioxane-5-carboxylic acid (4-heptylphenyl) ester Formula: C24H38O4 MolecularWeight: 390.55612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2COC(OC2)(C)CCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2COC(OC2)(C)CCCCC

InChI

InChI=1S/C24H38O4/c1-4-6-8-9-10-12-20-13-15-22(16-14-20)28-23(25)21-18-26-24(3,27-19-21)17-11-7-5-2/h13-16,21H,4-12,17-19H2,1-3H3