trisodium 5-isocyano-2-[(2E)-2-(2-oxidanylidene-3,6-disulfonato-naphthalen-1-ylidene)hydrazinyl]-1H-imidazole-4-carboxylate

Systemtic Name: trisodium 5-isocyano-2-[(2E)-2-(2-oxidanylidene-3,6-disulfonato-naphthalen-1-ylidene)hydrazinyl]-1H-imidazole-4-carboxylate Openeye Name: trisodium 5-isocyano-2-[(2E)-2-(2-oxo-3,6-disulfonato-1-naphthylidene)hydrazino]-1H-imidazole-4-carboxylate CAS Name: trisodium 5-isocyano-2-[(2E)-2-(2-oxo-3,6-disulfonato-1-naphthalenylidene)hydrazinyl]-1H-imidazole-4-carboxylate IUPAC Name: trisodium 5-isocyano-2-[(2E)-2-(2-oxo-3,6-disulfonatonaphthalen-1-ylidene)hydrazinyl]-1H-imidazole-4-carboxylate Traditional Name: trisodium 5-isocyano-2-[(N'E)-N'-(2-keto-3,6-disulfonato-1-naphthylidene)hydrazino]-1H-imidazole-4-carboxylate Formula: C15H6N5Na3O9S2 MolecularWeight: 533.33555

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=C(N=C(N1)NN=C2C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

[C-]#[N+]C1=C(N=C(N1)N/N=C/2\C3=C(C=C(C=C3)S(=O)(=O)[O-])C=C(C2=O)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C15H9N5O9S2.3Na/c1-16-13-11(14(22)23)17-15(18-13)20-19-10-8-3-2-7(30(24,25)26)4-6(8)5-9(12(10)21)31(27,28)29;;;/h2-5H,(H,22,23)(H2,17,18,20)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b19-10+;;;