2-[4-(5-oxidanylidenecyclopenten-1-yl)butylsulfanyl]ethanoic acid

Systemtic Name: 2-[4-(5-oxidanylidenecyclopenten-1-yl)butylsulfanyl]ethanoic acid Openeye Name: 2-[4-(5-oxocyclopenten-1-yl)butylsulfanyl]acetic acid CAS Name: 2-[4-(5-oxo-1-cyclopentenyl)butylthio]acetic acid IUPAC Name: 2-[4-(5-oxocyclopenten-1-yl)butylsulfanyl]acetic acid Traditional Name: 2-[4-(5-ketocyclopenten-1-yl)butylthio]acetic acid Formula: C11H16O3S MolecularWeight: 228.30794

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C1)CCCCSCC(=O)O

Isomeric SMILES

C1CC(=O)C(=C1)CCCCSCC(=O)O

InChI

InChI=1S/C11H16O3S/c12-10-6-3-5-9(10)4-1-2-7-15-8-11(13)14/h5H,1-4,6-8H2,(H,13,14)