N-[3-Amino-4-[[7-[[4-[[4-[[7-[[2-Amino-4-[(Carboxymethyl)Amino]Phenyl]Azo]-1-Hydroxy-3-Sulfo-2-Naphthalenyl]Azo]Phenyl]Amino]-2-Sulfophenyl]Azo]-8-Hydroxy-6-Sulfo-2-Naphthalenyl]Azo]Phenyl]-Glycine Trisodium Salt
[CAS# 67846-57-5]

Identification

• Name: N-[3-Amino-4-[[7-[[4-[[4-[[7-[[2-Amino-4-[(Carboxymethyl)Amino]Phenyl]Azo]-1-Hydroxy-3-Sulfo-2-Naphthalenyl]Azo]Phenyl]Amino]-2-Sulfophenyl]Azo]-8-Hydroxy-6-Sulfo-2-Naphthalenyl]Azo]Phenyl]-Glycine Trisodium Salt
• Synonyms: Glycine, N-(3-Amino-4-((7-((4-((4-((7-((2-Amino-4-((Carboxymethyl)Amino)Phenyl)Azo)-1-Hydroxy-3-Sulfo-2-Naphthalenyl)Azo)Phenyl)Amino)-2-Sulfophenyl)Azo)-8-Hydroxy-6-Sulfo-2-Naphthalenyl)Azo)Phenyl)-, Trisodium Salt
• Molecular Formula: C₄₈H₃₆N₁₃Na₃O₁₅S₃
• Molecular Weight: 1200.04
• CAS Registry Number: 67846-57-5
• EINECS: 267-371-0
• SMILES: C23=CC=C(N=NC1=CC=C(NCC(=O)[O-])C=C1N)C=C2C(=C(C(=C3)[S](=O)(=O)[O-])N=NC4=CC=C(C=C4[S](=O)(=O)[O-])NC5=CC=C(C=C5)N=NC7=C(C=C6C=CC(=CC6=C7O)N=NC8=CC=C(C=C8N)NCC(=O)O)[S](=O)(=O)O)O.[Na+].[Na+].[Na+]
• InChI: 1S/C48H39N13O15S3.3Na/c49-35-19-28(51-22-43(62)63)9-12-37(35)57-55-31-3-1-24-15-41(78(71,72)73)45(47(66)33(24)17-31)60-54-27-7-5-26(6-8-27)53-30-11-14-39(40(21-30)77(68,69)70)59-61-46-42(79(74,75)76)16-25-2-4-32(18-34(25)48(46)67)56-58-38-13-10-29(20-36(38)50)52-23-44(64)65;;;/h1-21,51-53,66-67H,22-23,49-50H2,(H,62,63)(H,64,65)(H,68,69,70)(H,71,72,73)(H,74,75,76);;;/q;3*+1/p-3
• InChIKey: CQTAQKVHXKHTGX-UHFFFAOYSA-K