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

Systemtic Name: 3-[5-[(3-nitro-4-oxidanyl-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Openeye Name: 3-[5-[(4-hydroxy-3-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzoic acid CAS Name: 3-[5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzoic acid IUPAC Name: 3-[5-[(4-hydroxy-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Traditional Name: 3-[5-(4-hydroxy-3-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(=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])SC2=S)C(=O)O

Isomeric SMILES

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

InChI

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