(2R,4S)-2-[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2R,4S)-2-[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2R,4S)-2-[5-(4-chloro-3-nitro-phenyl)-2-furyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2R,4S)-2-[5-(4-chloro-3-nitrophenyl)-2-furanyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2R,4S)-2-[5-(4-chloro-3-nitrophenyl)furan-2-yl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2R,4S)-2-[5-(4-chloro-3-nitro-phenyl)-2-furyl]thiazolidin-3-ium-4-carboxylate Formula: C14H11ClN2O5S MolecularWeight: 354.76554

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH2+]C(S1)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1[C@@H]([NH2+][C@H](S1)C2=CC=C(O2)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C14H11ClN2O5S/c15-8-2-1-7(5-10(8)17(20)21)11-3-4-12(22-11)13-16-9(6-23-13)14(18)19/h1-5,9,13,16H,6H2,(H,18,19)/t9-,13-/m1/s1