3,3-((3-Methyl-1,2-Phenylene)Bis(Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino(2-(Acetylamino)-5-Methoxy-4,1-Phenylene)Azo))Bis-1,5-Naphthalenedisulfonic Acid Tetrasodium Salt
[CAS# 72906-24-2]

Identification

• Name: 3,3-((3-Methyl-1,2-Phenylene)Bis(Imino(6-Chloro-1,3,5-Triazine-4,2-Diyl)Imino(2-(Acetylamino)-5-Methoxy-4,1-Phenylene)Azo))Bis-1,5-Naphthalenedisulfonic Acid Tetrasodium Salt
• Molecular Formula: C₅₁H₃₈Cl₂N₁₆Na₄O₁₆S₄
• Molecular Weight: 1422.06
• CAS Registry Number: 72906-24-2
• 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=C(C(=CC=C5)C)NC6=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)Cl.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C51H42Cl2N16O16S4.4Na/c1-23-9-6-12-32(56-48-60-46(52)61-49(64-48)57-37-19-33(54-24(2)70)35(21-39(37)84-4)68-66-26-15-30-28(43(17-26)88(78,79)80)10-7-13-41(30)86(72,73)74)45(23)59-51-63-47(53)62-50(65-51)58-38-20-34(55-25(3)71)36(22-40(38)85-5)69-67-27-16-31-29(44(18-27)89(81,82)83)11-8-14-42(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)(H2,56,57,60,61,64)(H2,58,59,62,63,65);;;;/q;4*+1/p-4
• InChIKey: ULDCNFPXBJQPOY-UHFFFAOYSA-J