Nitrosulfonazo III
[CAS# 1964-89-2]

Identification

• Name: Nitrosulfonazo III
• Synonyms: (3Z,6E)-3,6-Bis[(4-Nitro-2-Sulfo-Phenyl)Hydrazono]-4,5-Dioxo-Naphthalene-2,7-Disulfonic Acid; (3Z,6E)-3,6-Bis[(4-Nitro-2-Sulfophenyl)Hydrazono]-4,5-Dioxonaphthalene-2,7-Disulfonic Acid; (3Z,6E)-4,5-Diketo-3,6-Bis[(4-Nitro-2-Sulfo-Phenyl)Hydrazono]Naphthalene-2,7-Disulfonic Acid
• Molecular Formula: C₂₂H₁₄N₆O₁₈S₄
• Molecular Weight: 778.62
• CAS Registry Number: 1964-89-2
• EINECS: 217-808-6
• SMILES: C1=CC(=CC(=C1N\N=C2\C(=CC4=C(C2=O)C(=O)C(=N/NC3=C([S](O)(=O)=O)C=C([N+]([O-])=O)C=C3)/C(=C4)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O)[N+]([O-])=O
• InChI: 1S/C22H14N6O18S4/c29-21-18-9(5-16(49(41,42)43)19(21)25-23-12-3-1-10(27(31)32)7-14(12)47(35,36)37)6-17(50(44,45)46)20(22(18)30)26-24-13-4-2-11(28(33)34)8-15(13)48(38,39)40/h1-8,23-24H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)/b25-19-,26-20+
• InChIKey: LCBKXIKLBHZRIG-GAHATOAQSA-N

Properties

• Density: 2.129g/cm³ (Cal.)