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

Systemtic Name: (2R,4R)-2-(3-ethoxy-5-nitro-4-oxidanidyl-phenyl)-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-(3-ethoxy-5-nitro-4-oxido-phenyl)thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-(3-ethoxy-5-nitro-4-oxidophenyl)-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-(3-ethoxy-5-nitro-4-oxidophenyl)-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-(3-ethoxy-5-nitro-4-oxido-phenyl)thiazolidin-3-ium-4-carboxylate Formula: C12H13N2O6S- MolecularWeight: 313.30642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2[NH2+]C(CS2)C(=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-]

InChI

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