Tetrasodium 5-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Ethenyl]Benzenesulfonate
[CAS# 37515-76-7]

Identification

• Name: Tetrasodium 5-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Ethenyl]Benzenesulfonate
• Synonyms: Tetrasodium 5-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]Benzenesulfonate; Tetrasodium 5-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfonatophenyl]Vinyl]Benzenesulfonate; Tetrasodium 5-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-(2-Cyanoethyl-(2-Hydroxyethyl)Amino)-6-[(4-Sulfonatophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfonato-Phenyl]Vinyl]Benzenesulfonate
• Molecular Formula: C₄₂H₃₈N₁₄Na₄O₁₄S₄
• Molecular Weight: 1183.05
• CAS Registry Number: 37515-76-7
• EINECS: 253-535-9
• SMILES: C1=C([S]([O-])(=O)=O)C(=CC=C1NC2=NC(=NC(=N2)NC3=CC=C([S]([O-])(=O)=O)C=C3)N(CCC#N)CCO)\C=C\C6=CC=C(NC4=NC(=NC(=N4)NC5=CC=C([S]([O-])(=O)=O)C=C5)N(CCC#N)CCO)C=C6[S]([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+]
• InChI: 1S/C42H42N14O14S4.4Na/c43-17-1-19-55(21-23-57)41-51-37(45-29-9-13-33(14-10-29)71(59,60)61)49-39(53-41)47-31-7-5-27(35(25-31)73(65,66)67)3-4-28-6-8-32(26-36(28)74(68,69)70)48-40-50-38(46-30-11-15-34(16-12-30)72(62,63)64)52-42(54-40)56(22-24-58)20-2-18-44;;;;/h3-16,25-26,57-58H,1-2,19-24H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4/b4-3+
• InChIKey: HAMURXQOURMAQS-PLJHVDPMSA-J