2-[5-(hydroxymethyl)-4-oxidanyl-2-(sulfooxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyloxy)-5-oxidanyl-4-sulfooxy-oxane-3-sulfonoperoxoic acid

Systemtic Name: 2-[5-(hydroxymethyl)-4-oxidanyl-2-(sulfooxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyloxy)-5-oxidanyl-4-sulfooxy-oxane-3-sulfonoperoxoic acid Openeye Name: 5-hydroxy-2-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-6-(hydroxymethoxy)-4-sulfooxy-tetrahydropyran-3-sulfonoperoxoic acid CAS Name: 5-hydroxy-2-[[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)-3-oxolanyl]oxy]-6-(hydroxymethoxy)-4-sulfooxy-3-oxanesulfonoperoxoic acid IUPAC Name: 5-hydroxy-2-[4-hydroxy-5-(hydroxymethyl)-2-(sulfooxymethyl)oxolan-3-yl]oxy-6-(hydroxymethoxy)-4-sulfooxyoxane-3-sulfonoperoxoic acid Traditional Name: 5-hydroxy-2-[4-hydroxy-5-methylol-2-(sulfoxymethyl)tetrahydrofuran-3-yl]oxy-6-methyloloxy-4-sulfoxy-tetrahydropyran-3-sulfonoperoxoic acid Formula: C12H22O20S3 MolecularWeight: 582.48608

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)OCO)O)OS(=O)(=O)O)S(=O)(=O)OO)O)O

Isomeric SMILES

C(C1C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)OCO)O)OS(=O)(=O)O)S(=O)(=O)OO)O)O

InChI

InChI=1S/C12H22O20S3/c13-1-4-6(15)8(5(28-4)2-27-34(20,21)22)29-12-10(33(18,19)32-17)9(31-35(23,24)25)7(16)11(30-12)26-3-14/h4-17H,1-3H2,(H,20,21,22)(H,23,24,25)