3-sulfanylhexyl butanoate

Systemtic Name: 3-sulfanylhexyl butanoate Openeye Name: 3-sulfanylhexyl butanoate CAS Name: butanoic acid 3-mercaptohexyl ester IUPAC Name: 3-sulfanylhexyl butanoate Traditional Name: butyric acid 3-mercaptohexyl ester Formula: C10H20O2S MolecularWeight: 204.3296

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCOC(=O)CCC)S

Isomeric SMILES

CCCC(CCOC(=O)CCC)S

InChI

InChI=1S/C10H20O2S/c1-3-5-9(13)7-8-12-10(11)6-4-2/h9,13H,3-8H2,1-2H3