(2R,4R)-2-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4R)-2-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4R)-2-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4R)-2-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4R)-2-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4R)-2-[4-(2,4-dinitrophenoxy)-3-ethoxy-phenyl]thiazolidin-3-ium-4-carboxylate Formula: C18H17N3O8S MolecularWeight: 435.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2[NH2+]C(CS2)C(=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[NH2+][C@@H](CS2)C(=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O8S/c1-2-28-16-7-10(17-19-12(9-30-17)18(22)23)3-5-15(16)29-14-6-4-11(20(24)25)8-13(14)21(26)27/h3-8,12,17,19H,2,9H2,1H3,(H,22,23)/t12-,17+/m0/s1