3-(furan-2-ylmethylsulfanyl)-2-(furan-2-ylmethylsulfanylmethyl)-4-(2-methylpropanoyloxy)-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-(furan-2-ylmethylsulfanyl)-2-(furan-2-ylmethylsulfanylmethyl)-4-(2-methylpropanoyloxy)-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 3-(2-furylmethylsulfanyl)-2-(2-furylmethylsulfanylmethyl)-4-(2-methylpropanoyloxy)-5-oxo-furan-2-carboxylic acid CAS Name: 3-(2-furanylmethylthio)-2-[(2-furanylmethylthio)methyl]-4-(2-methyl-1-oxopropoxy)-5-oxo-2-furancarboxylic acid IUPAC Name: 3-(furan-2-ylmethylsulfanyl)-2-(furan-2-ylmethylsulfanylmethyl)-4-(2-methylpropanoyloxy)-5-oxofuran-2-carboxylic acid Traditional Name: 3-(2-furfurylthio)-2-[(2-furfurylthio)methyl]-4-isobutyryloxy-5-keto-2-furoic acid Formula: C20H20O8S2 MolecularWeight: 452.498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OC1=C(C(OC1=O)(CSCC2=CC=CO2)C(=O)O)SCC3=CC=CO3

Isomeric SMILES

CC(C)C(=O)OC1=C(C(OC1=O)(CSCC2=CC=CO2)C(=O)O)SCC3=CC=CO3

InChI

InChI=1S/C20H20O8S2/c1-12(2)17(21)27-15-16(30-10-14-6-4-8-26-14)20(19(23)24,28-18(15)22)11-29-9-13-5-3-7-25-13/h3-8,12H,9-11H2,1-2H3,(H,23,24)