3-[3,4-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfonatooxy-oxane-2-carboxylate

Systemtic Name: 3-[3,4-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfonatooxy-oxane-2-carboxylate Openeye Name: 3-[3,4-disulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-4-methoxy-5-sulfonatooxy-tetrahydropyran-2-carboxylate CAS Name: 3-[[3,4-disulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-4-methoxy-5-sulfonatooxy-2-oxanecarboxylate IUPAC Name: 3-[3,4-disulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfonatooxyoxane-2-carboxylate Traditional Name: 3-[3,4-disulfato-6-(sulfatomethyl)tetrahydropyran-2-yl]oxy-4-methoxy-5-sulfato-tetrahydropyran-2-carboxylate Formula: C13H17O22S4-5 MolecularWeight: 653.52088

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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)/p-5