disodium (3E)-3-[(4-nitro-2-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: disodium (3E)-3-[(4-nitro-2-sulfonato-phenyl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: disodium (3E)-3-[(4-nitro-2-sulfonato-phenyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: disodium (3E)-3-[(4-nitro-2-sulfonatophenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: disodium (3E)-3-[(4-nitro-2-sulfonatophenyl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: disodium (3E)-6-keto-3-[(4-nitro-2-sulfonato-phenyl)hydrazono]cyclohexa-1,4-diene-1-carboxylate Formula: C13H7N3Na2O8S MolecularWeight: 411.25452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9N3O8S.2Na/c17-11-4-1-7(5-9(11)13(18)19)14-15-10-3-2-8(16(20)21)6-12(10)25(22,23)24;;/h1-6,15H,(H,18,19)(H,22,23,24);;/q;2*+1/p-2/b14-7+;;