5-(propylsulfanylmethyl)furan-2-carboxylate

Systemtic Name: 5-(propylsulfanylmethyl)furan-2-carboxylate Openeye Name: 5-(propylsulfanylmethyl)furan-2-carboxylate CAS Name: 5-[(propylthio)methyl]-2-furancarboxylate IUPAC Name: 5-(propylsulfanylmethyl)furan-2-carboxylate Traditional Name: 5-[(propylthio)methyl]-2-furoate Formula: C9H11O3S- MolecularWeight: 199.24684

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCC1=CC=C(O1)C(=O)[O-]

Isomeric SMILES

CCCSCC1=CC=C(O1)C(=O)[O-]

InChI

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