2-[(4-carboxy-5-methyl-furan-2-yl)methylsulfanylmethyl]-5-methyl-furan-3-carboxylic acid

Systemtic Name: 2-[(4-carboxy-5-methyl-furan-2-yl)methylsulfanylmethyl]-5-methyl-furan-3-carboxylic acid Openeye Name: 2-[(4-carboxy-5-methyl-2-furyl)methylsulfanylmethyl]-5-methyl-furan-3-carboxylic acid CAS Name: 2-[[(4-carboxy-5-methyl-2-furanyl)methylthio]methyl]-5-methyl-3-furancarboxylic acid IUPAC Name: 2-[(4-carboxy-5-methylfuran-2-yl)methylsulfanylmethyl]-5-methylfuran-3-carboxylic acid Traditional Name: 2-[[(4-carboxy-5-methyl-2-furyl)methylthio]methyl]-5-methyl-3-furoic acid Formula: C14H14O6S MolecularWeight: 310.32236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)CSCC2=CC(=C(O2)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(O1)CSCC2=CC(=C(O2)C)C(=O)O)C(=O)O

InChI

InChI=1S/C14H14O6S/c1-7-3-11(14(17)18)12(19-7)6-21-5-9-4-10(13(15)16)8(2)20-9/h3-4H,5-6H2,1-2H3,(H,15,16)(H,17,18)