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

Systemtic Name: 5-sulfooxy-6-[4-sulfooxy-5-(sulfooxymethyl)-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-3,4-bis(trioxidanylsulfanyloxy)oxane-2-carboxylic acid Openeye Name: 5-sulfooxy-6-[4-sulfooxy-5-(sulfooxymethyl)-2-(trioxidanylsulfanyloxymethyl)tetrahydrofuran-3-yl]oxy-3,4-bis(trioxidanylsulfanyloxy)tetrahydropyran-2-carboxylic acid CAS Name: 5-sulfooxy-6-[[4-sulfooxy-5-(sulfooxymethyl)-2-[(trioxidanylthio)oxymethyl]-3-oxolanyl]oxy]-3,4-bis[(trioxidanylthio)oxy]-2-oxanecarboxylic acid IUPAC Name: 5-sulfooxy-6-[4-sulfooxy-5-(sulfooxymethyl)-2-(trioxidanylsulfanyloxymethyl)oxolan-3-yl]oxy-3,4-bis(trioxidanylsulfanyloxy)oxane-2-carboxylic acid Traditional Name: 5-sulfoxy-6-[4-sulfoxy-5-(sulfoxymethyl)-2-[(trioxidanylthio)oxymethyl]tetrahydrofuran-3-yl]oxy-3,4-bis[(trioxidanylthio)oxy]tetrahydropyran-2-carboxylic acid Formula: C12H20O29S6 MolecularWeight: 820.6598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O29S6/c13-11(14)9-7(32-43-40-37-16)8(33-44-41-38-17)10(35-47(24,25)26)12(31-9)30-5-3(1-27-42-39-36-15)29-4(2-28-45(18,19)20)6(5)34-46(21,22)23/h3-10,12,15-17H,1-2H2,(H,13,14)(H,18,19,20)(H,21,22,23)(H,24,25,26)