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

Systemtic Name: 4-(2,2-dimethylpropanoyloxy)-3-(furan-2-ylmethylsulfanyl)-2-(furan-2-ylmethylsulfanylmethyl)-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-(2,2-dimethylpropanoyloxy)-3-(2-furylmethylsulfanyl)-2-(2-furylmethylsulfanylmethyl)-5-oxo-furan-2-carboxylic acid CAS Name: 4-(2,2-dimethyl-1-oxopropoxy)-3-(2-furanylmethylthio)-2-[(2-furanylmethylthio)methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-(2,2-dimethylpropanoyloxy)-3-(furan-2-ylmethylsulfanyl)-2-(furan-2-ylmethylsulfanylmethyl)-5-oxofuran-2-carboxylic acid Traditional Name: 3-(2-furfurylthio)-2-[(2-furfurylthio)methyl]-5-keto-4-pivaloyloxy-2-furoic acid Formula: C21H22O8S2 MolecularWeight: 466.52458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O8S2/c1-20(2,3)19(25)28-15-16(31-11-14-7-5-9-27-14)21(18(23)24,29-17(15)22)12-30-10-13-6-4-8-26-13/h4-9H,10-12H2,1-3H3,(H,23,24)