2-[(5E)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(5E)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid Openeye Name: 2-[(5E)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid CAS Name: 2-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]acetic acid IUPAC Name: 2-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid Traditional Name: 2-[(5E)-5-(2-hydroxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]acetic acid Formula: C12H8N2O6S2 MolecularWeight: 340.33172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)O

InChI

InChI=1S/C12H8N2O6S2/c15-8-2-1-7(14(19)20)3-6(8)4-9-11(18)13(5-10(16)17)12(21)22-9/h1-4,15H,5H2,(H,16,17)/b9-4+