2-(furan-2-ylmethylsulfanyl)butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SCC1=CC=CO1

Isomeric SMILES

CCC(C(=O)O)SCC1=CC=CO1

InChI

InChI=1S/C9H12O3S/c1-2-8(9(10)11)13-6-7-4-3-5-12-7/h3-5,8H,2,6H2,1H3,(H,10,11)