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hexyl 3-sulfanylpentanoate

hexyl 3-sulfanylpentanoate

Systemtic Name:hexyl 3-sulfanylpentanoate
Openeye Name:hexyl 3-sulfanylpentanoate
CAS Name:3-mercaptopentanoic acid hexyl ester
IUPAC Name:hexyl 3-sulfanylpentanoate
Traditional Name:3-mercaptovaleric acid hexyl ester
Formula: C11H22O2S
MolecularWeight: 218.35618
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CC(CC)S


Isomeric SMILES

CCCCCCOC(=O)CC(CC)S


InChI

InChI=1S/C11H22O2S/c1-3-5-6-7-8-13-11(12)9-10(14)4-2/h10,14H,3-9H2,1-2H3


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