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

Systemtic Name: 3-[3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxy-oxane-2-carboxylic acid Openeye Name: 3-[3,4-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid CAS Name: 3-[[3,4-disulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-4,5-dimethoxy-2-oxanecarboxylic acid IUPAC Name: 3-[3,4-disulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4,5-dimethoxyoxane-2-carboxylic acid Traditional Name: 3-[3,4-disulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid Formula: C14H24O19S3 MolecularWeight: 592.52396

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Descriptors Computed from Structure

Canonical SMILES:

COC1COC(C(C1OC)OC2C(C(CC(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)O

Isomeric SMILES

COC1COC(C(C1OC)OC2C(C(CC(O2)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H24O19S3/c1-26-8-5-28-12(13(15)16)11(9(8)27-2)31-14-10(33-36(23,24)25)7(32-35(20,21)22)3-6(30-14)4-29-34(17,18)19/h6-12,14H,3-5H2,1-2H3,(H,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)