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

Systemtic Name: 3-oxidanyl-6-[4-oxidanyl-2,5-bis(sulfooxymethyl)oxolan-3-yl]oxy-4,5-disulfooxy-oxane-2-carboxylic acid Openeye Name: 3-hydroxy-6-[4-hydroxy-2,5-bis(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-4,5-disulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 3-hydroxy-6-[[4-hydroxy-2,5-bis(sulfooxymethyl)-3-oxolanyl]oxy]-4,5-disulfooxy-2-oxanecarboxylic acid IUPAC Name: 3-hydroxy-6-[4-hydroxy-2,5-bis(sulfooxymethyl)oxolan-3-yl]oxy-4,5-disulfooxyoxane-2-carboxylic acid Traditional Name: 3-hydroxy-6-[4-hydroxy-2,5-bis(sulfoxymethyl)tetrahydrofuran-3-yl]oxy-4,5-disulfoxy-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)OC2C(C(C(C(O2)C(=O)O)O)OS(=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)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O

InChI

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