sodium (8E)-8-[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium (8E)-8-[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]-5-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium (8E)-8-[[4-nitro-2-(trifluoromethyl)phenyl]hydrazono]-5-oxo-naphthalene-2-sulfonate CAS Name: sodium (8E)-8-[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]-5-oxo-2-naphthalenesulfonate IUPAC Name: sodium (8E)-8-[[4-nitro-2-(trifluoromethyl)phenyl]hydrazinylidene]-5-oxonaphthalene-2-sulfonate Traditional Name: sodium (8E)-5-keto-8-[[4-nitro-2-(trifluoromethyl)phenyl]hydrazono]naphthalene-2-sulfonate Formula: C17H9F3N3NaO6S MolecularWeight: 463.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])C(F)(F)F)N/N=C/2\C=CC(=O)C3=C2C=C(C=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H10F3N3O6S.Na/c18-17(19,20)13-7-9(23(25)26)1-4-15(13)22-21-14-5-6-16(24)11-3-2-10(8-12(11)14)30(27,28)29;/h1-8,22H,(H,27,28,29);/q;+1/p-1/b21-14+;