trisodium (3Z)-5-azanyl-3-[(3-nitro-2-oxidanyl-5-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: trisodium (3Z)-5-azanyl-3-[(3-nitro-2-oxidanyl-5-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: trisodium (3Z)-5-amino-3-[(2-hydroxy-3-nitro-5-sulfonato-phenyl)hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: trisodium (3Z)-5-amino-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: trisodium (3Z)-5-amino-3-[(2-hydroxy-3-nitro-5-sulfonatophenyl)hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: trisodium (3Z)-5-amino-3-[(2-hydroxy-3-nitro-5-sulfonato-phenyl)hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C16H9N4Na3O13S3 MolecularWeight: 630.42597

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C(=NNC3=CC(=CC(=C3O)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)C2=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C2C=C(/C(=N\NC3=CC(=CC(=C3O)[N+](=O)[O-])S(=O)(=O)[O-])/C(=O)C2=C(C=C1S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C16H12N4O13S3.3Na/c17-9-3-7(34(25,26)27)1-6-2-12(36(31,32)33)14(16(22)13(6)9)19-18-10-4-8(35(28,29)30)5-11(15(10)21)20(23)24;;;/h1-5,18,21H,17H2,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3/b19-14+;;;