hexyl 5-sulfanylpentanoate

Systemtic Name: hexyl 5-sulfanylpentanoate Openeye Name: hexyl 5-sulfanylpentanoate CAS Name: 5-mercaptopentanoic acid hexyl ester IUPAC Name: hexyl 5-sulfanylpentanoate Traditional Name: 5-mercaptovaleric acid hexyl ester Formula: C11H22O2S MolecularWeight: 218.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCCCS

Isomeric SMILES

CCCCCCOC(=O)CCCCS

InChI

InChI=1S/C11H22O2S/c1-2-3-4-6-9-13-11(12)8-5-7-10-14/h14H,2-10H2,1H3