(2R,4R)-2-(3,4-dimethoxy-5-nitro-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-(3,4-dimethoxy-5-nitro-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(3,4-dimethoxy-5-nitro-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(3,4-dimethoxy-5-nitrophenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(3,4-dimethoxy-5-nitrophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(3,4-dimethoxy-5-nitro-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)[N+](=O)[O-])C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)[N+](=O)[O-])[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c1-19-9-4-6(3-8(14(17)18)10(9)20-2)11-13-7(5-21-11)12(15)16/h3-4,7,11,13H,5H2,1-2H3,(H,15,16)/t7-,11+/m0/s1