3-(furan-2-ylmethylsulfanyl)-2-methyl-propanoic acid

Systemtic Name: 3-(furan-2-ylmethylsulfanyl)-2-methyl-propanoic acid Openeye Name: 3-(2-furylmethylsulfanyl)-2-methyl-propanoic acid CAS Name: 3-(2-furanylmethylthio)-2-methylpropanoic acid IUPAC Name: 3-(furan-2-ylmethylsulfanyl)-2-methylpropanoic acid Traditional Name: 3-(2-furfurylthio)-2-methyl-propionic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=CO1)C(=O)O

Isomeric SMILES

CC(CSCC1=CC=CO1)C(=O)O

InChI

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