Hexasodium 2,2'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-[(3-Amino-3-Oxopropyl)(Phenylmethyl)Amino]-1,3,5-Triazine-4,2-Diyl]Imino]]Bis(Benzene-1,4-Disulphonate)
[CAS# 68134-04-3]

Identification

• Name: Hexasodium 2,2'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-[(3-Amino-3-Oxopropyl)(Phenylmethyl)Amino]-1,3,5-Triazine-4,2-Diyl]Imino]]Bis(Benzene-1,4-Disulphonate)
• Synonyms: Hexasodium 2,2'-(Vinylenebis((3-Sulphonato-4,1-Phenylene)Imino(6-((3-Amino-3-Oxopropyl)(Phenylmethyl)Amino)-1,3,5-Triazine-4,2-Diyl)Imino))Bis(Benzene-1,4-Disulphonate)
• Molecular Formula: C₅₂H₄₅N₁₄Na₅O₂₀S₆
• Molecular Weight: 1493.32
• CAS Registry Number: 68134-04-3
• EINECS: 268-725-7
• SMILES: C1=C(C(=CC=C1[S](=O)(=O)O)[S](=O)(=O)[O-])NC2=NC(=NC(=N2)NC7=CC(=C(\C=C\C6=CC=C(NC3=NC(=NC(=N3)N(CCC(=O)N)CC4=CC=CC=C4)NC5=C([S](=O)(=O)[O-])C=CC(=C5)[S](=O)(=O)[O-])C=C6[S](=O)(=O)[O-])C=C7)[S](=O)(=O)[O-])N(CCC(=O)N)CC8=CC=CC=C8.[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C52H50N14O20S6.5Na/c53-45(67)21-23-65(29-31-7-3-1-4-8-31)51-61-47(59-49(63-51)57-39-27-37(87(69,70)71)17-19-41(39)89(75,76)77)55-35-15-13-33(43(25-35)91(81,82)83)11-12-34-14-16-36(26-44(34)92(84,85)86)56-48-60-50(58-40-28-38(88(72,73)74)18-20-42(40)90(78,79)80)64-52(62-48)66(24-22-46(54)68)30-32-9-5-2-6-10-32;;;;;/h1-20,25-28H,21-24,29-30H2,(H2,53,67)(H2,54,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H2,55,57,59,61,63)(H2,56,58,60,62,64);;;;;/q;5*+1/p-5/b12-11+
• InChIKey: FQEXKEFXEHRZMD-MOBNGVKNSA-I