sodium (3E)-3-[(5-chloranyl-3-nitro-2-oxidanyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: sodium (3E)-3-[(5-chloranyl-3-nitro-2-oxidanyl-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-1-sulfonate Openeye Name: sodium (3E)-3-[(5-chloro-2-hydroxy-3-nitro-phenyl)hydrazono]-4-oxo-naphthalene-1-sulfonate CAS Name: sodium (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)hydrazinylidene]-4-oxo-1-naphthalenesulfonate IUPAC Name: sodium (3E)-3-[(5-chloro-2-hydroxy-3-nitrophenyl)hydrazinylidene]-4-oxonaphthalene-1-sulfonate Traditional Name: sodium (3E)-3-[(5-chloro-2-hydroxy-3-nitro-phenyl)hydrazono]-4-keto-naphthalene-1-sulfonate Formula: C16H9ClN3NaO7S MolecularWeight: 445.76633

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O7S.Na/c17-8-5-11(16(22)13(6-8)20(23)24)18-19-12-7-14(28(25,26)27)9-3-1-2-4-10(9)15(12)21;/h1-7,18,22H,(H,25,26,27);/q;+1/p-1/b19-12+;