(2R,4R)-2-(2-carboxylato-3,4-dimethoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(2-carboxylato-3,4-dimethoxy-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(2-carboxylato-3,4-dimethoxy-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(2-carboxylato-3,4-dimethoxyphenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(2-carboxylato-3,4-dimethoxyphenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(2-carboxylato-3,4-dimethoxy-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C13H14NO6S- MolecularWeight: 312.31836

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2[NH2+]C(CS2)C(=O)[O-])C(=O)[O-])OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])C(=O)[O-])OC

InChI

InChI=1S/C13H15NO6S/c1-19-8-4-3-6(9(13(17)18)10(8)20-2)11-14-7(5-21-11)12(15)16/h3-4,7,11,14H,5H2,1-2H3,(H,15,16)(H,17,18)/p-1/t7-,11+/m0/s1