methyl 5-oxidanyl-3-oxidanylidene-5-(thian-3-yl)pentanoate

Systemtic Name: methyl 5-oxidanyl-3-oxidanylidene-5-(thian-3-yl)pentanoate Openeye Name: methyl 5-hydroxy-3-oxo-5-tetrahydrothiopyran-3-yl-pentanoate CAS Name: 5-hydroxy-3-oxo-5-(3-thianyl)pentanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-3-oxo-5-(thian-3-yl)pentanoate Traditional Name: 5-hydroxy-3-keto-5-tetrahydrothiopyran-3-yl-valeric acid methyl ester Formula: C11H18O4S MolecularWeight: 246.32322

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)CC(C1CCCSC1)O

Isomeric SMILES

COC(=O)CC(=O)CC(C1CCCSC1)O

InChI

InChI=1S/C11H18O4S/c1-15-11(14)6-9(12)5-10(13)8-3-2-4-16-7-8/h8,10,13H,2-7H2,1H3