octan-2-yl 5-chloranylpentanoate

Systemtic Name: octan-2-yl 5-chloranylpentanoate Openeye Name: 1-methylheptyl 5-chloropentanoate CAS Name: 5-chloropentanoic acid octan-2-yl ester IUPAC Name: octan-2-yl 5-chloropentanoate Traditional Name: 5-chlorovaleric acid 1-methylheptyl ester Formula: C13H25ClO2 MolecularWeight: 248.7894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)CCCCCl

Isomeric SMILES

CCCCCCC(C)OC(=O)CCCCCl

InChI

InChI=1S/C13H25ClO2/c1-3-4-5-6-9-12(2)16-13(15)10-7-8-11-14/h12H,3-11H2,1-2H3