5-[(4-ethanoyl-2,5-dimethyl-furan-3-yl)methylsulfanylmethyl]furan-2-carboxylic acid

Systemtic Name: 5-[(4-ethanoyl-2,5-dimethyl-furan-3-yl)methylsulfanylmethyl]furan-2-carboxylic acid Openeye Name: 5-[(4-acetyl-2,5-dimethyl-3-furyl)methylsulfanylmethyl]furan-2-carboxylic acid CAS Name: 5-[[(4-acetyl-2,5-dimethyl-3-furanyl)methylthio]methyl]-2-furancarboxylic acid IUPAC Name: 5-[(4-acetyl-2,5-dimethylfuran-3-yl)methylsulfanylmethyl]furan-2-carboxylic acid Traditional Name: 5-[[(4-acetyl-2,5-dimethyl-3-furyl)methylthio]methyl]-2-furoic acid Formula: C15H16O5S MolecularWeight: 308.34954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16O5S/c1-8(16)14-10(3)19-9(2)12(14)7-21-6-11-4-5-13(20-11)15(17)18/h4-5H,6-7H2,1-3H3,(H,17,18)