trisodium (3E)-3-[(4,8-disulfonatonaphthalen-2-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: trisodium (3E)-3-[(4,8-disulfonatonaphthalen-2-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: trisodium (3E)-3-[(4,8-disulfonato-2-naphthyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: trisodium (3E)-3-[(4,8-disulfonato-2-naphthalenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: trisodium (3E)-3-[(4,8-disulfonatonaphthalen-2-yl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: trisodium (3E)-3-[(4,8-disulfonato-2-naphthyl)hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylate Formula: C17H9N2Na3O9S2 MolecularWeight: 518.36067

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])NN=C3C=CC(=O)C(=C3)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)[O-])N/N=C/3\C=CC(=O)C(=C3)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H12N2O9S2.3Na/c20-14-5-4-9(6-13(14)17(21)22)18-19-10-7-12-11(16(8-10)30(26,27)28)2-1-3-15(12)29(23,24)25;;;/h1-8,19H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3/b18-9+;;;