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

Systemtic Name: 6-[4-oxidanyl-2,5-bis(sulfooxymethyl)oxolan-3-yl]oxy-3,4,5-trisulfooxy-oxane-2-carboxylic acid; sodium Openeye Name: 6-[4-hydroxy-2,5-bis(sulfooxymethyl)tetrahydrofuran-3-yl]oxy-3,4,5-trisulfooxy-tetrahydropyran-2-carboxylic acid; sodium CAS Name: 6-[[4-hydroxy-2,5-bis(sulfooxymethyl)-3-oxolanyl]oxy]-3,4,5-trisulfooxy-2-oxanecarboxylic acid; sodium IUPAC Name: 6-[4-hydroxy-2,5-bis(sulfooxymethyl)oxolan-3-yl]oxy-3,4,5-trisulfooxyoxane-2-carboxylic acid; sodium Traditional Name: 6-[4-hydroxy-2,5-bis(sulfoxymethyl)tetrahydrofuran-3-yl]oxy-3,4,5-trisulfoxy-tetrahydropyran-2-carboxylic acid; sodium Formula: C12H20NaO26S5 MolecularWeight: 763.58637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O.[Na]

Isomeric SMILES

C(C1C(C(C(O1)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O.[Na]

InChI

InChI=1S/C12H20O26S5.Na/c13-5-3(1-31-39(16,17)18)33-4(2-32-40(19,20)21)6(5)34-12-10(38-43(28,29)30)8(37-42(25,26)27)7(36-41(22,23)24)9(35-12)11(14)15;/h3-10,12-13H,1-2H2,(H,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30);