Hexasodium 2,2'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-[[3-(Acetylamino)Propyl]Amino]-1,3,5-Triazine-4,2-Diyl]Imino]]Bis(Benzene-1,4-Disulphonate)
[CAS# 56190-26-2]

Identification

• Name: Hexasodium 2,2'-[Vinylenebis[(3-Sulphonato-4,1-Phenylene)Imino[6-[[3-(Acetylamino)Propyl]Amino]-1,3,5-Triazine-4,2-Diyl]Imino]]Bis(Benzene-1,4-Disulphonate)
• Synonyms: Hexasodium 2-[[4-(3-Acetamidopropylamino)-6-[[4-[(E)-2-[4-[[4-(3-Acetamidopropylamino)-6-[(2,5-Disulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Hexasodium 2-[[4-(3-Acetamidopropylamino)-6-[[4-[(E)-2-[4-[[4-(3-Acetamidopropylamino)-6-[(2,5-Disulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Vinyl]-3-Sulfonatophenyl]Amino]-1,3,5-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate; Hexasodium 2-[[4-(3-Acetamidopropylamino)-6-[[4-[(E)-2-[4-[[4-(3-Acetamidopropylamino)-6-[(2,5-Disulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]-3-Sulfonato-Phenyl]Amino]-S-Triazin-2-Yl]Amino]Benzene-1,4-Disulfonate
• Molecular Formula: C₄₂H₄₀N₁₄Na₆O₂₀S₆
• Molecular Weight: 1391.16
• CAS Registry Number: 56190-26-2
• EINECS: 260-045-9
• SMILES: C6=C(NC1=NC(=NC(=N1)NCCCNC(=O)C)NC2=CC=C(C(=C2)[S]([O-])(=O)=O)\C=C\C5=CC=C(NC3=NC(=NC(=N3)NC4=CC(=CC=C4[S]([O-])(=O)=O)[S]([O-])(=O)=O)NCCCNC(=O)C)C=C5[S]([O-])(=O)=O)C(=CC=C6[S]([O-])(=O)=O)[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C42H46N14O20S6.6Na/c1-23(57)43-15-3-17-45-37-51-39(55-41(53-37)49-31-21-29(77(59,60)61)11-13-33(31)79(65,66)67)47-27-9-7-25(35(19-27)81(71,72)73)5-6-26-8-10-28(20-36(26)82(74,75)76)48-40-52-38(46-18-4-16-44-24(2)58)54-42(56-40)50-32-22-30(78(62,63)64)12-14-34(32)80(68,69)70;;;;;;/h5-14,19-22H,3-4,15-18H2,1-2H3,(H,43,57)(H,44,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H3,45,47,49,51,53,55)(H3,46,48,50,52,54,56);;;;;;/q;6*+1/p-6/b6-5+
• InChIKey: HJRRWDRLTZZDNF-TXPPQYTASA-H