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

Systemtic Name: methyl 5-(4-chloranylbutyl)-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-(4-chlorobutyl)-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-(4-chlorobutyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorobutyl)-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-(4-chlorobutyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C11H19ClO4 MolecularWeight: 250.71916

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(CO1)CCCCCl)C(=O)OC

Isomeric SMILES

CC1(OCC(CO1)CCCCCl)C(=O)OC

InChI

InChI=1S/C11H19ClO4/c1-11(10(13)14-2)15-7-9(8-16-11)5-3-4-6-12/h9H,3-8H2,1-2H3