5-[(2S)-2,3-disulfooxypropoxy]-2-[(2R)-2,3-disulfooxypropoxy]benzoic acid

Systemtic Name: 5-[(2S)-2,3-disulfooxypropoxy]-2-[(2R)-2,3-disulfooxypropoxy]benzoic acid Openeye Name: 5-[(2S)-2,3-disulfooxypropoxy]-2-[(2R)-2,3-disulfooxypropoxy]benzoic acid CAS Name: 5-[(2S)-2,3-disulfooxypropoxy]-2-[(2R)-2,3-disulfooxypropoxy]benzoic acid IUPAC Name: 5-[(2S)-2,3-disulfooxypropoxy]-2-[(2R)-2,3-disulfooxypropoxy]benzoic acid Traditional Name: 5-[(2S)-2,3-disulfoxypropoxy]-2-[(2R)-2,3-disulfoxypropoxy]benzoic acid Formula: C13H18O20S4 MolecularWeight: 622.53002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCC(COS(=O)(=O)O)OS(=O)(=O)O)C(=O)O)OCC(COS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1OC[C@@H](COS(=O)(=O)O)OS(=O)(=O)O)C(=O)O)OC[C@H](COS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C13H18O20S4/c14-13(15)11-3-8(28-4-9(32-36(22,23)24)6-30-34(16,17)18)1-2-12(11)29-5-10(33-37(25,26)27)7-31-35(19,20)21/h1-3,9-10H,4-7H2,(H,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)/t9-,10+/m0/s1