5-butylsulfanylfuran-3-carboxylic acid

Systemtic Name: 5-butylsulfanylfuran-3-carboxylic acid Openeye Name: 5-butylsulfanylfuran-3-carboxylic acid CAS Name: 5-(butylthio)-3-furancarboxylic acid IUPAC Name: 5-butylsulfanylfuran-3-carboxylic acid Traditional Name: 5-(butylthio)-3-furoic acid Formula: C9H12O3S MolecularWeight: 200.25478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=CO1)C(=O)O

Isomeric SMILES

CCCCSC1=CC(=CO1)C(=O)O

InChI

InChI=1S/C9H12O3S/c1-2-3-4-13-8-5-7(6-12-8)9(10)11/h5-6H,2-4H2,1H3,(H,10,11)