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

Systemtic Name: trisodium (3E)-3-[(6,8-disulfonatonaphthalen-2-yl)hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: trisodium (3E)-3-[(6,8-disulfonato-2-naphthyl)hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: trisodium (3E)-3-[(6,8-disulfonato-2-naphthalenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: trisodium (3E)-3-[(6,8-disulfonatonaphthalen-2-yl)hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: trisodium (3E)-3-[(6,8-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=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C3C=CC(=O)C(=C3)C(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])N/N=C/3\C=CC(=O)C(=C3)C(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H12N2O9S2.3Na/c20-15-4-3-11(7-14(15)17(21)22)19-18-10-2-1-9-5-12(29(23,24)25)8-16(13(9)6-10)30(26,27)28;;;/h1-8,18H,(H,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3/b19-11+;;;