disodium (3Z)-5-azanyl-3-[(3,5-dinitro-2-oxidanyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-azanyl-3-[(3,5-dinitro-2-oxidanyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-amino-3-[(2-hydroxy-3,5-dinitro-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-amino-3-[(2-hydroxy-3,5-dinitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-amino-3-[(2-hydroxy-3,5-dinitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-amino-3-[(2-hydroxy-3,5-dinitro-phenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C16H9N5Na2O12S2 MolecularWeight: 573.3785

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=NNC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])C(=O)C2=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=C2C=C(/C(=N\NC3=CC(=CC(=C3O)[N+](=O)[O-])[N+](=O)[O-])/C(=O)C2=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H11N5O12S2.2Na/c17-9-5-8(34(28,29)30)1-6-2-12(35(31,32)33)14(16(23)13(6)9)19-18-10-3-7(20(24)25)4-11(15(10)22)21(26)27;;/h1-5,18,22H,17H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b19-14+;;