(3E)-3-[(3-nitro-2-oxidanyl-5-sulfo-phenyl)hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: (3E)-3-[(3-nitro-2-oxidanyl-5-sulfo-phenyl)hydrazinylidene]-6-oxidanyl-4-oxidanylidene-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: (3E)-6-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfo-phenyl)hydrazono]-4-oxo-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: (3E)-6-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: (3E)-6-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-diene-1-carboxylic acid Traditional Name: (3E)-6-hydroxy-3-[(2-hydroxy-3-nitro-5-sulfo-phenyl)hydrazono]-4-keto-cyclohexa-1,5-diene-1-carboxylic acid Formula: C13H9N3O10S MolecularWeight: 399.28966

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])O)NN=C2C=C(C(=CC2=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])O)N/N=C/2\C=C(C(=CC2=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H9N3O10S/c17-10-4-11(18)7(3-6(10)13(20)21)14-15-8-1-5(27(24,25)26)2-9(12(8)19)16(22)23/h1-4,15,17,19H,(H,20,21)(H,24,25,26)/b14-7+