2-[4-[(5-oxidanylidenecyclopenten-1-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-[4-[(5-oxidanylidenecyclopenten-1-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-[4-[(5-oxocyclopenten-1-yl)sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-[4-[[(5-oxo-1-cyclopentenyl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-[4-[(5-oxocyclopenten-1-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-[4-[[(5-ketocyclopenten-1-yl)thio]methyl]phenyl]propionic acid Formula: C15H16O3S MolecularWeight: 276.35074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)CSC2=CCCC2=O)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)CSC2=CCCC2=O)C(=O)O

InChI

InChI=1S/C15H16O3S/c1-10(15(17)18)12-7-5-11(6-8-12)9-19-14-4-2-3-13(14)16/h4-8,10H,2-3,9H2,1H3,(H,17,18)