3-(propylsulfanylmethyl)furan-2-carboxylic acid

Systemtic Name: 3-(propylsulfanylmethyl)furan-2-carboxylic acid Openeye Name: 3-(propylsulfanylmethyl)furan-2-carboxylic acid CAS Name: 3-[(propylthio)methyl]-2-furancarboxylic acid IUPAC Name: 3-(propylsulfanylmethyl)furan-2-carboxylic acid Traditional Name: 3-[(propylthio)methyl]-2-furoic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=C(OC=C1)C(=O)O

Isomeric SMILES

CCCSCC1=C(OC=C1)C(=O)O

InChI

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