methyl 5-[(2R)-2,3-disulfooxypropoxy]-2-[(2S)-2,3-disulfooxypropoxy]benzoate

Systemtic Name: methyl 5-[(2R)-2,3-disulfooxypropoxy]-2-[(2S)-2,3-disulfooxypropoxy]benzoate Openeye Name: methyl 5-[(2R)-2,3-disulfooxypropoxy]-2-[(2S)-2,3-disulfooxypropoxy]benzoate CAS Name: 5-[(2R)-2,3-disulfooxypropoxy]-2-[(2S)-2,3-disulfooxypropoxy]benzoic acid methyl ester IUPAC Name: methyl 5-[(2R)-2,3-disulfooxypropoxy]-2-[(2S)-2,3-disulfooxypropoxy]benzoate Traditional Name: 5-[(2R)-2,3-disulfoxypropoxy]-2-[(2S)-2,3-disulfoxypropoxy]benzoic acid methyl ester Formula: C14H20O20S4 MolecularWeight: 636.5566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)OCC(COS(=O)(=O)O)OS(=O)(=O)O)OCC(COS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)OC[C@H](COS(=O)(=O)O)OS(=O)(=O)O)OC[C@@H](COS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C14H20O20S4/c1-28-14(15)12-4-9(29-5-10(33-37(22,23)24)7-31-35(16,17)18)2-3-13(12)30-6-11(34-38(25,26)27)8-32-36(19,20)21/h2-4,10-11H,5-8H2,1H3,(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)/t10-,11+/m1/s1