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

Systemtic Name: 4-[(4-ethanoyl-2,5-dimethyl-furan-3-yl)methylsulfanylmethyl]-5-methyl-furan-2-carboxylic acid Openeye Name: 4-[(4-acetyl-2,5-dimethyl-3-furyl)methylsulfanylmethyl]-5-methyl-furan-2-carboxylic acid CAS Name: 4-[[(4-acetyl-2,5-dimethyl-3-furanyl)methylthio]methyl]-5-methyl-2-furancarboxylic acid IUPAC Name: 4-[(4-acetyl-2,5-dimethylfuran-3-yl)methylsulfanylmethyl]-5-methylfuran-2-carboxylic acid Traditional Name: 4-[[(4-acetyl-2,5-dimethyl-3-furyl)methylthio]methyl]-5-methyl-2-furoic acid Formula: C16H18O5S MolecularWeight: 322.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)O)CSCC2=C(OC(=C2C(=O)C)C)C

Isomeric SMILES

CC1=C(C=C(O1)C(=O)O)CSCC2=C(OC(=C2C(=O)C)C)C

InChI

InChI=1S/C16H18O5S/c1-8(17)15-11(4)20-10(3)13(15)7-22-6-12-5-14(16(18)19)21-9(12)2/h5H,6-7H2,1-4H3,(H,18,19)