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

Systemtic Name: (4-butylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Openeye Name: (4-butylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate CAS Name: 2-methyl-2-pentyl-1,3-dioxane-5-carboxylic acid (4-butylphenyl) ester IUPAC Name: (4-butylphenyl) 2-methyl-2-pentyl-1,3-dioxane-5-carboxylate Traditional Name: 2-amyl-2-methyl-1,3-dioxane-5-carboxylic acid (4-butylphenyl) ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)CCCC)C

Isomeric SMILES

CCCCCC1(OCC(CO1)C(=O)OC2=CC=C(C=C2)CCCC)C

InChI

InChI=1S/C21H32O4/c1-4-6-8-14-21(3)23-15-18(16-24-21)20(22)25-19-12-10-17(11-13-19)9-7-5-2/h10-13,18H,4-9,14-16H2,1-3H3