3-(furan-2-ylmethylsulfanyl)-2-(furan-2-ylmethylsulfinylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-(furan-2-ylmethylsulfanyl)-2-(furan-2-ylmethylsulfinylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 3-(2-furylmethylsulfanyl)-2-(2-furylmethylsulfinylmethyl)-4-hydroxy-5-oxo-furan-2-carboxylic acid CAS Name: 2-(2-furanylmethylsulfinylmethyl)-3-(2-furanylmethylthio)-4-hydroxy-5-oxo-2-furancarboxylic acid IUPAC Name: 3-(furan-2-ylmethylsulfanyl)-2-(furan-2-ylmethylsulfinylmethyl)-4-hydroxy-5-oxofuran-2-carboxylic acid Traditional Name: 2-(2-furfurylsulfinylmethyl)-3-(2-furfurylthio)-4-hydroxy-5-keto-2-furoic acid Formula: C16H14O8S2 MolecularWeight: 398.40756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CSC2=C(C(=O)OC2(CS(=O)CC3=CC=CO3)C(=O)O)O

Isomeric SMILES

C1=COC(=C1)CSC2=C(C(=O)OC2(CS(=O)CC3=CC=CO3)C(=O)O)O

InChI

InChI=1S/C16H14O8S2/c17-12-13(25-7-10-3-1-5-22-10)16(15(19)20,24-14(12)18)9-26(21)8-11-4-2-6-23-11/h1-6,17H,7-9H2,(H,19,20)