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

Systemtic Name: 6-[5-(hydroxymethyl)-4-sulfooxy-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-4-oxidanyl-5-sulfooxy-3-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid Openeye Name: 4-hydroxy-6-[5-(hydroxymethyl)-4-sulfooxy-2-(trioxidanylsulfanyloxymethyl)tetrahydrofuran-3-yl]oxy-5-sulfooxy-3-(trioxidanylsulfanyloxy)tetrahydropyran-2-carboxylic acid CAS Name: 4-hydroxy-6-[[5-(hydroxymethyl)-4-sulfooxy-2-[(trioxidanylthio)oxymethyl]-3-oxolanyl]oxy]-5-sulfooxy-3-(trioxidanylthio)oxy-2-oxanecarboxylic acid IUPAC Name: 4-hydroxy-6-[5-(hydroxymethyl)-4-sulfooxy-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-5-sulfooxy-3-(trioxidanylsulfanyloxy)oxane-2-carboxylic acid Traditional Name: 4-hydroxy-6-[5-methylol-4-sulfoxy-2-[(trioxidanylthio)oxymethyl]tetrahydrofuran-3-yl]oxy-5-sulfoxy-3-(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)COSOOO)OC2C(C(C(C(O2)C(=O)O)OSOOO)O)OS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

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

InChI

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