2-[3-(2-oxidanyl-2-oxidanylidene-1-phenylsulfanyl-ethyl)phenyl]propanoic acid

Systemtic Name: 2-[3-(2-oxidanyl-2-oxidanylidene-1-phenylsulfanyl-ethyl)phenyl]propanoic acid Openeye Name: 2-[3-(2-hydroxy-2-oxo-1-phenylsulfanyl-ethyl)phenyl]propanoic acid CAS Name: 2-[3-[2-hydroxy-2-oxo-1-(phenylthio)ethyl]phenyl]propanoic acid IUPAC Name: 2-[3-(2-hydroxy-2-oxo-1-phenylsulfanylethyl)phenyl]propanoic acid Traditional Name: 2-[3-[2-hydroxy-2-keto-1-(phenylthio)ethyl]phenyl]propionic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)C(C(=O)O)SC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C1=CC(=CC=C1)C(C(=O)O)SC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H16O4S/c1-11(16(18)19)12-6-5-7-13(10-12)15(17(20)21)22-14-8-3-2-4-9-14/h2-11,15H,1H3,(H,18,19)(H,20,21)