sodium (6E)-6-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: sodium (6E)-6-[(3-chloranyl-5-nitro-2-oxidanyl-phenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-1-sulfonate Openeye Name: sodium (6E)-6-[(3-chloro-2-hydroxy-5-nitro-phenyl)hydrazono]-5-oxo-naphthalene-1-sulfonate CAS Name: sodium (6E)-6-[(3-chloro-2-hydroxy-5-nitrophenyl)hydrazinylidene]-5-oxo-1-naphthalenesulfonate IUPAC Name: sodium (6E)-6-[(3-chloro-2-hydroxy-5-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-1-sulfonate Traditional Name: sodium (6E)-6-[(3-chloro-2-hydroxy-5-nitro-phenyl)hydrazono]-5-keto-naphthalene-1-sulfonate Formula: C16H9ClN3NaO7S MolecularWeight: 445.76633

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=NNC3=CC(=CC(=C3O)Cl)[N+](=O)[O-])C2=O)C(=C1)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C(C=C/C(=N\NC3=CC(=CC(=C3O)Cl)[N+](=O)[O-])/C2=O)C(=C1)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C16H10ClN3O7S.Na/c17-11-6-8(20(23)24)7-13(16(11)22)19-18-12-5-4-9-10(15(12)21)2-1-3-14(9)28(25,26)27;/h1-7,19,22H,(H,25,26,27);/q;+1/p-1/b18-12+;