3-[3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxy-oxane-2-carboxylic acid

Systemtic Name: 3-[3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: 3-[3,4-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4-methoxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 3-[[3,4-disulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-4-methoxy-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 3-[3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 3-[3,4-disulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4-methoxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C13H22O22S4 MolecularWeight: 658.56058

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(COC(C1OC2C(C(CC(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

COC1C(COC(C1OC2C(C(CC(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C13H22O22S4/c1-28-8-7(34-38(22,23)24)4-29-11(12(14)15)10(8)32-13-9(35-39(25,26)27)6(33-37(19,20)21)2-5(31-13)3-30-36(16,17)18/h5-11,13H,2-4H2,1H3,(H,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)