2,2'-[1,2-Ethenediylbis[(3-Sulfo-4,1-Phenylene)Imino[6-[(3-Amino-3-Oxopropyl)[3-(Diethylamino)Propyl]Amino]-1,3,5-Triazine-4,2-Diyl]]]Bis[1,4-Benzenedisulfonic Acid]Hexasodium Salt
[CAS# 53499-88-0]

Identification

• Name: 2,2'-[1,2-Ethenediylbis[(3-Sulfo-4,1-Phenylene)Imino[6-[(3-Amino-3-Oxopropyl)[3-(Diethylamino)Propyl]Amino]-1,3,5-Triazine-4,2-Diyl]]]Bis[1,4-Benzenedisulfonic Acid]Hexasodium Salt
• Synonyms: Hexasodium 2-[4-[(3-Amino-3-Oxo-Propyl)-(3-Diethylaminopropyl)Amino]-6-[[4-[(E)-2-[4-[[4-[(3-Amino-3-Oxo-Propyl)-(3-Diethylaminopropyl)Amino]-6-(2,5-Disulfonatophenyl)-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Benzene-1,4-Disulfonate; Hexasodium 2-[4-[(3-Amino-3-Oxopropyl)-(3-Diethylaminopropyl)Amino]-6-[[4-[(E)-2-[4-[[4-[(3-Amino-3-Oxopropyl)-(3-Diethylaminopropyl)Amino]-6-(2,5-Disulfonatophenyl)-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Vinyl]-3-Sulfonatophenyl]Amino]-1,3,5-Triazin-2-Yl]Benzene-1,4-Disulfonate; Hexasodium 2-[4-[(3-Amino-3-Keto-Propyl)-(3-Diethylaminopropyl)Amino]-6-[[4-[(E)-2-[4-[[4-[(3-Amino-3-Keto-Propyl)-(3-Diethylaminopropyl)Amino]-6-(2,5-Disulfonatophenyl)-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Amino]-S-Triazin-2-Yl]Benzene-1,4-Disulfonate
• Molecular Formula: C₅₂H₆₀N₁₄Na₆O₂₀S₆
• Molecular Weight: 1531.43
• CAS Registry Number: 53499-88-0
• SMILES: C1=C(C(=CC=C1[S]([O-])(=O)=O)[S]([O-])(=O)=O)C2=NC(=NC(=N2)N(CCC(=O)N)CCCN(CC)CC)NC3=CC=C(C(=C3)[S]([O-])(=O)=O)\C=C\C6=CC=C(NC4=NC(=NC(=N4)C5=CC(=CC=C5[S]([O-])(=O)=O)[S]([O-])(=O)=O)N(CCC(=O)N)CCCN(CC)CC)C=C6[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C52H66N14O20S6.6Na/c1-5-63(6-2)23-9-25-65(27-21-45(53)67)51-59-47(39-31-37(87(69,70)71)17-19-41(39)89(75,76)77)57-49(61-51)55-35-15-13-33(43(29-35)91(81,82)83)11-12-34-14-16-36(30-44(34)92(84,85)86)56-50-58-48(40-32-38(88(72,73)74)18-20-42(40)90(78,79)80)60-52(62-50)66(28-22-46(54)68)26-10-24-64(7-3)8-4;;;;;;/h11-20,29-32H,5-10,21-28H2,1-4H3,(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)(H,55,57,59,61)(H,56,58,60,62);;;;;;/q;6*+1/p-6/b12-11+
• InChIKey: CYFXSLZIZABYNS-WOEVDWSHSA-H