3-oxidanyl-6-[4-oxidanyl-5-(sulfooxymethyl)-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-5-sulfooxy-4-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid

Systemtic Name: 3-oxidanyl-6-[4-oxidanyl-5-(sulfooxymethyl)-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-5-sulfooxy-4-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid Openeye Name: 3-hydroxy-6-[4-hydroxy-5-(sulfooxymethyl)-2-(trioxidanylsulfanyloxymethyl)tetrahydrofuran-3-yl]oxy-5-sulfooxy-4-(trioxidanylsulfanyloxy)tetrahydropyran-2-carboxylic acid CAS Name: 3-hydroxy-6-[[4-hydroxy-5-(sulfooxymethyl)-2-[(trioxidanylthio)oxymethyl]-3-oxolanyl]oxy]-5-sulfooxy-4-(trioxidanylthio)oxy-2-oxanecarboxylic acid IUPAC Name: 3-hydroxy-6-[4-hydroxy-5-(sulfooxymethyl)-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-5-sulfooxy-4-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid Traditional Name: 3-hydroxy-6-[4-hydroxy-5-(sulfoxymethyl)-2-[(trioxidanylthio)oxymethyl]tetrahydrofuran-3-yl]oxy-5-sulfoxy-4-(trioxidanylthio)oxy-tetrahydropyran-2-carboxylic acid Formula: C12H20O23S4 MolecularWeight: 660.5334

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)COS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)OSOOO)OS(=O)(=O)O)OSOOO

Isomeric SMILES

C(C1C(C(C(O1)COS(=O)(=O)O)O)OC2C(C(C(C(O2)C(=O)O)O)OSOOO)OS(=O)(=O)O)OSOOO

InChI

InChI=1S/C12H20O23S4/c13-5-3(2-26-38(19,20)21)27-4(1-25-36-34-32-17)7(5)28-12-10(31-39(22,23)24)8(30-37-35-33-18)6(14)9(29-12)11(15)16/h3-10,12-14,17-18H,1-2H2,(H,15,16)(H,19,20,21)(H,22,23,24)