[2-[3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate

Systemtic Name: [2-[3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-3,5-disulfooxy-oxan-4-yl] hydrogen sulfate Openeye Name: [2-[3,4-disulfooxy-2,5-bis(sulfooxymethyl)tetrahydrofuran-2-yl]oxy-6-(hydroxymethyl)-3,5-disulfooxy-tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [2-[[3,4-disulfooxy-2,5-bis(sulfooxymethyl)-2-oxolanyl]oxy]-6-(hydroxymethyl)-3,5-disulfooxy-4-oxanyl] ester IUPAC Name: [2-[3,4-disulfooxy-2,5-bis(sulfooxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)-3,5-disulfooxyoxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-[3,4-disulfoxy-2,5-bis(sulfoxymethyl)tetrahydrofuran-2-yl]oxy-6-methylol-3,5-disulfoxy-tetrahydropyran-4-yl] ester Formula: C12H22O32S7 MolecularWeight: 902.73888

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)OC2(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

C(C1C(C(C(C(O1)OC2(C(C(C(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C12H22O32S7/c13-1-4-6(40-47(20,21)22)8(42-49(26,27)28)9(43-50(29,30)31)11(37-4)39-12(3-36-46(17,18)19)10(44-51(32,33)34)7(41-48(23,24)25)5(38-12)2-35-45(14,15)16/h4-11,13H,1-3H2,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)