methyl 6-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)sulfanylhexanoate

Systemtic Name: methyl 6-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)sulfanylhexanoate Openeye Name: methyl 6-(3-hydroxy-5-oxo-cyclopenten-1-yl)sulfanylhexanoate CAS Name: 6-[(3-hydroxy-5-oxo-1-cyclopentenyl)thio]hexanoic acid methyl ester IUPAC Name: methyl 6-(3-hydroxy-5-oxocyclopenten-1-yl)sulfanylhexanoate Traditional Name: 6-[(3-hydroxy-5-keto-cyclopenten-1-yl)thio]hexanoic acid methyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCSC1=CC(CC1=O)O

Isomeric SMILES

COC(=O)CCCCCSC1=CC(CC1=O)O

InChI

InChI=1S/C12H18O4S/c1-16-12(15)5-3-2-4-6-17-11-8-9(13)7-10(11)14/h8-9,13H,2-7H2,1H3