methyl 6-(5-oxidanylidenecyclopenten-1-yl)sulfanylhexanoate

Systemtic Name: methyl 6-(5-oxidanylidenecyclopenten-1-yl)sulfanylhexanoate Openeye Name: methyl 6-(5-oxocyclopenten-1-yl)sulfanylhexanoate CAS Name: 6-[(5-oxo-1-cyclopentenyl)thio]hexanoic acid methyl ester IUPAC Name: methyl 6-(5-oxocyclopenten-1-yl)sulfanylhexanoate Traditional Name: 6-[(5-ketocyclopenten-1-yl)thio]hexanoic acid methyl ester Formula: C12H18O3S MolecularWeight: 242.33452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCSC1=CCCC1=O

Isomeric SMILES

COC(=O)CCCCCSC1=CCCC1=O

InChI

InChI=1S/C12H18O3S/c1-15-12(14)8-3-2-4-9-16-11-7-5-6-10(11)13/h7H,2-6,8-9H2,1H3