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

Systemtic Name: 5-[(4-ethanoyl-2,5-dimethyl-furan-3-yl)-methylsulfanyl-methyl]furan-2-carboxylic acid Openeye Name: 5-[(4-acetyl-2,5-dimethyl-3-furyl)-methylsulfanyl-methyl]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)C(C2=CC=C(O2)C(=O)O)SC

Isomeric SMILES

CC1=C(C(=C(O1)C)C(=O)C)C(C2=CC=C(O2)C(=O)O)SC

InChI

InChI=1S/C15H16O5S/c1-7(16)12-8(2)19-9(3)13(12)14(21-4)10-5-6-11(20-10)15(17)18/h5-6,14H,1-4H3,(H,17,18)