methyl 5-(5-chloranylpentyl)-2-methyl-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 5-(5-chloranylpentyl)-2-methyl-1,3-dioxane-2-carboxylate Openeye Name: methyl 5-(5-chloropentyl)-2-methyl-1,3-dioxane-2-carboxylate CAS Name: 5-(5-chloropentyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 5-(5-chloropentyl)-2-methyl-1,3-dioxane-2-carboxylate Traditional Name: 5-(5-chloropentyl)-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C12H21ClO4 MolecularWeight: 264.74574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H21ClO4/c1-12(11(14)15-2)16-8-10(9-17-12)6-4-3-5-7-13/h10H,3-9H2,1-2H3