2-(furan-2-ylmethylsulfanyl)-2-phenyl-ethanoic acid

Systemtic Name: 2-(furan-2-ylmethylsulfanyl)-2-phenyl-ethanoic acid Openeye Name: 2-(2-furylmethylsulfanyl)-2-phenyl-acetic acid CAS Name: 2-(2-furanylmethylthio)-2-phenylacetic acid IUPAC Name: 2-(furan-2-ylmethylsulfanyl)-2-phenylacetic acid Traditional Name: 2-(2-furfurylthio)-2-phenyl-acetic acid Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)O)SCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)O)SCC2=CC=CO2

InChI

InChI=1S/C13H12O3S/c14-13(15)12(10-5-2-1-3-6-10)17-9-11-7-4-8-16-11/h1-8,12H,9H2,(H,14,15)