2-[3-[(5-oxidanylidenecyclopenten-1-yl)sulfanylmethyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[(5-oxidanylidenecyclopenten-1-yl)sulfanylmethyl]phenyl]ethanoic acid Openeye Name: 2-[3-[(5-oxocyclopenten-1-yl)sulfanylmethyl]phenyl]acetic acid CAS Name: 2-[3-[[(5-oxo-1-cyclopentenyl)thio]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[(5-oxocyclopenten-1-yl)sulfanylmethyl]phenyl]acetic acid Traditional Name: 2-[3-[[(5-ketocyclopenten-1-yl)thio]methyl]phenyl]acetic acid Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(=C1)SCC2=CC=CC(=C2)CC(=O)O

Isomeric SMILES

C1CC(=O)C(=C1)SCC2=CC=CC(=C2)CC(=O)O

InChI

InChI=1S/C14H14O3S/c15-12-5-2-6-13(12)18-9-11-4-1-3-10(7-11)8-14(16)17/h1,3-4,6-7H,2,5,8-9H2,(H,16,17)