sodium (5E)-5-[(2-bromanyl-4-nitro-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium (5E)-5-[(2-bromanyl-4-nitro-phenyl)hydrazinylidene]-6-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (5E)-5-[(2-bromo-4-nitro-phenyl)hydrazono]-6-oxo-naphthalene-2-sulfonate CAS Name: sodium (5E)-5-[(2-bromo-4-nitrophenyl)hydrazinylidene]-6-oxo-2-naphthalenesulfonate IUPAC Name: sodium (5E)-5-[(2-bromo-4-nitrophenyl)hydrazinylidene]-6-oxonaphthalene-2-sulfonate Traditional Name: sodium (5E)-5-[(2-bromo-4-nitro-phenyl)hydrazono]-6-keto-naphthalene-2-sulfonate Formula: C16H9BrN3NaO6S MolecularWeight: 474.21793

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])Br)NN=C2C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)N/N=C/2\C3=C(C=CC2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H10BrN3O6S.Na/c17-13-8-10(20(22)23)2-5-14(13)18-19-16-12-4-3-11(27(24,25)26)7-9(12)1-6-15(16)21;/h1-8,18H,(H,24,25,26);/q;+1/p-1/b19-16+;