Tetrasodium 3,3'-[(4-Methyl-1,2-Phenylene)Bis[Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino[2-(Acetylamino)-5-Methoxy-4,1-Phenylene]Azo]]Bisnaphthalene-1,5-Disulphonate
[CAS# 72906-25-3]

Identification

• Name: Tetrasodium 3,3'-[(4-Methyl-1,2-Phenylene)Bis[Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino[2-(Acetylamino)-5-Methoxy-4,1-Phenylene]Azo]]Bisnaphthalene-1,5-Disulphonate
• Synonyms: Tetrasodium 3,3'-((4-Methyl-1,2-Phenylene)Bis(Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino(2-(Acetylamino)-5-Methoxy-4,1-Phenylene)Azo))Bisnaphthalene-1,5-Disulphonate
• Molecular Formula: C₅₁H₃₈Cl₂N₁₆Na₄O₁₆S₄
• Molecular Weight: 1422.06
• CAS Registry Number: 72906-25-3
• EINECS: 276-993-1
• SMILES: N1=C(N=C(N=C1NC4=C(C=C(N=NC2=CC(=C3C(=C2)C(=CC=C3)[S](=O)(=O)[O-])[S](=O)(=O)[O-])C(=C4)NC(=O)C)OC)NC5=CC=C(C=C5NC6=NC(=NC(=N6)NC9=C(C=C(N=NC7=CC(=C8C(=C7)C(=CC=C8)[S](=O)(=O)[O-])[S](=O)(=O)[O-])C(=C9)NC(=O)C)OC)Cl)C)Cl.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C51H42Cl2N16O16S4.4Na/c1-23-12-13-32(56-48-60-46(52)62-50(64-48)58-38-19-34(54-24(2)70)36(21-40(38)84-4)68-66-26-15-30-28(44(17-26)88(78,79)80)8-6-10-42(30)86(72,73)74)33(14-23)57-49-61-47(53)63-51(65-49)59-39-20-35(55-25(3)71)37(22-41(39)85-5)69-67-27-16-31-29(45(18-27)89(81,82)83)9-7-11-43(31)87(75,76)77;;;;/h6-22H,1-5H3,(H,54,70)(H,55,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H2,56,58,60,62,64)(H2,57,59,61,63,65);;;;/q;4*+1/p-4
• InChIKey: JKXPVKKQHQTRBS-UHFFFAOYSA-J