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

Systemtic Name: 3,4-bis(oxidanyl)-6-[4-oxidanyl-2,5-bis(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: 3,4-dihydroxy-6-[4-hydroxy-2,5-bis(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 3,4-dihydroxy-6-[[4-hydroxy-2,5-bis(sulfooxymethyl)-3-oxolanyl]oxy]-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 3,4-dihydroxy-6-[4-hydroxy-2,5-bis(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 3,4-dihydroxy-6-[4-hydroxy-2,5-bis(sulfoxymethyl)tetrahydrofuran-3-yl]oxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C12H20O20S3 MolecularWeight: 580.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20O20S3/c13-5-3(1-27-33(18,19)20)29-4(2-28-34(21,22)23)8(5)30-12-10(32-35(24,25)26)7(15)6(14)9(31-12)11(16)17/h3-10,12-15H,1-2H2,(H,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)