3-(furan-2-ylmethylsulfanyl)butanoic acid

Systemtic Name: 3-(furan-2-ylmethylsulfanyl)butanoic acid Openeye Name: 3-(2-furylmethylsulfanyl)butanoic acid CAS Name: 3-(2-furanylmethylthio)butanoic acid IUPAC Name: 3-(furan-2-ylmethylsulfanyl)butanoic acid Traditional Name: 3-(2-furfurylthio)butyric acid Formula: C9H12O3S MolecularWeight: 200.25478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)SCC1=CC=CO1

Isomeric SMILES

CC(CC(=O)O)SCC1=CC=CO1

InChI

InChI=1S/C9H12O3S/c1-7(5-9(10)11)13-6-8-3-2-4-12-8/h2-4,7H,5-6H2,1H3,(H,10,11)