3-[(7-Sulfo-2-Naphtyl)Azo]-5-Hydroxy-7-[3-(7-Sulfo-5-Hydroxy-2-Naphtyl)Ureido]-2-Naphthalenesulfonic Acid Trisodium Salt
[CAS# 6330-95-6]

Identification

• Name: 3-[(7-Sulfo-2-Naphtyl)Azo]-5-Hydroxy-7-[3-(7-Sulfo-5-Hydroxy-2-Naphtyl)Ureido]-2-Naphthalenesulfonic Acid Trisodium Salt
• Synonyms: Trisodium (3E)-7-[(5-Hydroxy-7-Sulfonato-2-Naphthyl)Carbamoylamino]-4-Oxo-3-[(6-Sulfonato-2-Naphthyl)Hydrazono]Naphthalene-2-Sulfonate; Trisodium (3E)-7-[[[(5-Hydroxy-7-Sulfonato-2-Naphthyl)Amino]-Oxomethyl]Amino]-4-Oxo-3-[(6-Sulfonato-2-Naphthyl)Hydrazono]-2-Naphthalenesulfonate; Trisodium (3E)-7-[(5-Hydroxy-7-Sulfonato-2-Naphthyl)Carbamoylamino]-4-Keto-3-[(6-Sulfonato-2-Naphthyl)Hydrazono]Naphthalene-2-Sulfonate
• Molecular Formula: C₃₁H₁₉N₄Na₃O₁₂S₃
• Molecular Weight: 804.66
• CAS Registry Number: 6330-95-6
• SMILES: C3=C(NC(=O)NC2=CC1=CC(=CC(=C1C=C2)O)[S]([O-])(=O)=O)C=CC6=C3C=C([S]([O-])(=O)=O)/C(=N/NC5=CC4=C(C=C([S]([O-])(=O)=O)C=C4)C=C5)C6=O.[Na+].[Na+].[Na+]
• InChI: 1S/C31H22N4O12S3.3Na/c36-27-15-24(49(42,43)44)13-18-10-20(4-7-25(18)27)32-31(38)33-21-5-8-26-19(11-21)14-28(50(45,46)47)29(30(26)37)35-34-22-3-1-17-12-23(48(39,40)41)6-2-16(17)9-22;;;/h1-15,34,36H,(H2,32,33,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b35-29-
• InChIKey: IRBMBJPRNWNGBZ-NOMWSUSKSA-K