disodium (3E)-4-azanyl-3-[(4-nitrophenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3E)-4-azanyl-3-[(4-nitrophenyl)hydrazinylidene]-5-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3E)-4-amino-3-[(4-nitrophenyl)hydrazono]-5-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3E)-4-amino-3-[(4-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3E)-4-amino-3-[(4-nitrophenyl)hydrazinylidene]-5-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3E)-4-amino-5-keto-3-[(4-nitrophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C16H10N4Na2O9S2 MolecularWeight: 512.38154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NN=C2C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1N/N=C\2/C(=CC3=CC(=CC(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H12N4O9S2.2Na/c17-15-14-8(5-11(7-12(14)21)30(24,25)26)6-13(31(27,28)29)16(15)19-18-9-1-3-10(4-2-9)20(22)23;;/h1-7,18H,17H2,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/b19-16-;;