disodium (3Z)-3-[(2-methoxy-4-nitro-phenyl)hydrazinylidene]-5-oxidanyl-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-3-[(2-methoxy-4-nitro-phenyl)hydrazinylidene]-5-oxidanyl-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-hydroxy-3-[(2-methoxy-4-nitro-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-hydroxy-3-[(2-methoxy-4-nitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-hydroxy-3-[(2-methoxy-4-nitrophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-hydroxy-4-keto-3-[(2-methoxy-4-nitro-phenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C17H11N3Na2O11S2 MolecularWeight: 543.39228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NN=C2C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])N/N=C/2\C(=CC3=CC(=CC(=C3C2=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H13N3O11S2.2Na/c1-31-13-6-9(20(23)24)2-3-11(13)18-19-16-14(33(28,29)30)5-8-4-10(32(25,26)27)7-12(21)15(8)17(16)22;;/h2-7,18,21H,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2/b19-16+;;