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

Systemtic Name: (2R,4R)-2-(3-methoxy-5-nitro-4-oxidanidyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(3-methoxy-5-nitro-4-oxido-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(3-methoxy-5-nitro-4-oxidophenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(3-methoxy-5-nitro-4-oxidophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(3-methoxy-5-nitro-4-oxido-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C11H11N2O6S- MolecularWeight: 299.27984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O6S/c1-19-8-3-5(2-7(9(8)14)13(17)18)10-12-6(4-20-10)11(15)16/h2-3,6,10,12,14H,4H2,1H3,(H,15,16)/p-1/t6-,10+/m0/s1