Pentasodium 7-{[4-{[4-({5-Amino-4-Sulfonato-2-[(2-Sulfonatoethoxy)Sulfonyl]Phenyl}Diazenyl)-6-Chloro-1,3,5-Triazin-2-Yl]Amino}-2-(Carbamoylamino)Phenyl]Diazenyl}-1,3,6-Naphthalenetrisulfonate
[CAS# 171599-84-1]

Identification

• Name: Pentasodium 7-{[4-{[4-({5-Amino-4-Sulfonato-2-[(2-Sulfonatoethoxy)Sulfonyl]Phenyl}Diazenyl)-6-Chloro-1,3,5-Triazin-2-Yl]Amino}-2-(Carbamoylamino)Phenyl]Diazenyl}-1,3,6-Naphthalenetrisulfonate
• Molecular Formula: C₂₈H₁₉ClN₁₁Na₅O₁₉S₆
• Molecular Weight: 1156.30
• CAS Registry Number: 171599-84-1
• SMILES: c1cc(c(cc1Nc2nc(nc(n2)Cl)N=Nc3cc(c(cc3S(=O)(=O)OCCS(=O)(=O)[O-])S(=O)(=O)[O-])N)NC(=O)N)N=Nc4cc5c(cc(cc5S(=O)(=O)[O-])S(=O)(=O)[O-])cc4S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C28H24ClN11O19S6.5Na/c29-25-34-27(36-28(35-25)40-39-20-10-16(30)22(63(51,52)53)11-24(20)65(57,58)59-3-4-60(42,43)44)32-13-1-2-17(18(7-13)33-26(31)41)37-38-19-9-15-12(6-23(19)64(54,55)56)5-14(61(45,46)47)8-21(15)62(48,49)50;;;;;/h1-2,5-11H,3-4,30H2,(H3,31,33,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,32,34,35,36);;;;;/q;5*+1/p-5/b38-37+,40-39+
• InChIKey: ABEFFFUPAWTNIS-TTWQUUMYSA-I

Properties

• Refractive index: (Cal.)