butyl 4-butylsulfanyl-2-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: butyl 4-butylsulfanyl-2-oxidanyl-4-oxidanylidene-butanoate Openeye Name: butyl 4-butylsulfanyl-2-hydroxy-4-oxo-butanoate CAS Name: 4-(butylthio)-2-hydroxy-4-oxobutanoic acid butyl ester IUPAC Name: butyl 4-butylsulfanyl-2-hydroxy-4-oxobutanoate Traditional Name: 4-(butylthio)-2-hydroxy-4-keto-butyric acid butyl ester Formula: C12H22O4S MolecularWeight: 262.36568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC(=O)SCCCC)O

Isomeric SMILES

CCCCOC(=O)C(CC(=O)SCCCC)O

InChI

InChI=1S/C12H22O4S/c1-3-5-7-16-12(15)10(13)9-11(14)17-8-6-4-2/h10,13H,3-9H2,1-2H3