sodium (3E)-3-[[2,4-bis(azanyl)phenyl]hydrazinylidene]-5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: sodium (3E)-3-[[2,4-bis(azanyl)phenyl]hydrazinylidene]-5-nitro-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate Openeye Name: sodium (3E)-3-[(2,4-diaminophenyl)hydrazono]-5-nitro-4-oxo-cyclohexa-1,5-diene-1-sulfonate CAS Name: sodium (3E)-3-[(2,4-diaminophenyl)hydrazinylidene]-5-nitro-4-oxo-1-cyclohexa-1,5-dienesulfonate IUPAC Name: sodium (3E)-3-[(2,4-diaminophenyl)hydrazinylidene]-5-nitro-4-oxocyclohexa-1,5-diene-1-sulfonate Traditional Name: sodium (3E)-3-[(2,4-diaminophenyl)hydrazono]-4-keto-5-nitro-cyclohexa-1,5-diene-1-sulfonate Formula: C12H10N5NaO6S MolecularWeight: 375.29247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)N)NN=C2C=C(C=C(C2=O)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1N)N)N/N=C/2\C=C(C=C(C2=O)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H11N5O6S.Na/c13-6-1-2-9(8(14)3-6)15-16-10-4-7(24(21,22)23)5-11(12(10)18)17(19)20;/h1-5,15H,13-14H2,(H,21,22,23);/q;+1/p-1/b16-10+;