5-[1-(5-carboxyfuran-2-yl)ethylsulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[1-(5-carboxyfuran-2-yl)ethylsulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[1-(5-carboxy-2-furyl)ethylsulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[1-(5-carboxy-2-furanyl)ethylthio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[1-(5-carboxyfuran-2-yl)ethylsulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[1-(5-carboxy-2-furyl)ethylthio]methyl]-2-furoic acid Formula: C13H12O6S MolecularWeight: 296.29578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)O)SCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C1=CC=C(O1)C(=O)O)SCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C13H12O6S/c1-7(9-4-5-11(19-9)13(16)17)20-6-8-2-3-10(18-8)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)(H,16,17)