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

Systemtic Name: 4-[(5Z)-5-[(5-nitro-2-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 4-[(5Z)-5-[(2-hydroxy-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 4-[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 4-[(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 4-[(5Z)-5-(2-hydroxy-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzoic acid Formula: C17H10N2O6S2 MolecularWeight: 402.4011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])O)SC2=S

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)/C(=C/C3=C(C=CC(=C3)[N+](=O)[O-])O)/SC2=S

InChI

InChI=1S/C17H10N2O6S2/c20-13-6-5-12(19(24)25)7-10(13)8-14-15(21)18(17(26)27-14)11-3-1-9(2-4-11)16(22)23/h1-8,20H,(H,22,23)/b14-8-