2-[5-(5-oxidanylidenecyclopenten-1-yl)pentylsulfanyl]ethanoic acid

Systemtic Name: 2-[5-(5-oxidanylidenecyclopenten-1-yl)pentylsulfanyl]ethanoic acid Openeye Name: 2-[5-(5-oxocyclopenten-1-yl)pentylsulfanyl]acetic acid CAS Name: 2-[5-(5-oxo-1-cyclopentenyl)pentylthio]acetic acid IUPAC Name: 2-[5-(5-oxocyclopenten-1-yl)pentylsulfanyl]acetic acid Traditional Name: 2-[5-(5-ketocyclopenten-1-yl)pentylthio]acetic acid Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C1)CCCCCSCC(=O)O

Isomeric SMILES

C1CC(=O)C(=C1)CCCCCSCC(=O)O

InChI

InChI=1S/C12H18O3S/c13-11-7-4-6-10(11)5-2-1-3-8-16-9-12(14)15/h6H,1-5,7-9H2,(H,14,15)