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

Systemtic Name: 2-[(5E)-5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: 2-[(5E)-5-[(4-hydroxy-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: 2-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: 2-[(5E)-5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: 2-[(5E)-5-(4-hydroxy-3-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C15H12N2O8S2 MolecularWeight: 412.39438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C15H12N2O8S2/c18-10-3-1-7(5-9(10)17(24)25)6-11-13(21)16(15(26)27-11)8(14(22)23)2-4-12(19)20/h1,3,5-6,8,18H,2,4H2,(H,19,20)(H,22,23)/b11-6+