2,2'-(1,2-Ethenediyl)Bis[5-[[4-[Bis(2-Hydroxyethyl)Amino]-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-Benzenesulfonic Acid
[CAS# 5131-70-4]

Identification

• Name: 2,2'-(1,2-Ethenediyl)Bis[5-[[4-[Bis(2-Hydroxyethyl)Amino]-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-Benzenesulfonic Acid
• Synonyms: 5-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Ethenyl]Benzenesulfonic Acid; 5-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Vinyl]Benzenesulfonic Acid; 5-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[2-[4-[[4-(Bis(2-Hydroxyethyl)Amino)-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Vinyl]Benzenesulfonic Acid
• Molecular Formula: C₄₀H₄₄N₁₂O₁₆S₄
• Molecular Weight: 1077.10
• CAS Registry Number: 5131-70-4
• EINECS: 225-880-5
• SMILES: C1=C([S](O)(=O)=O)C=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C(=C3)[S](O)(=O)=O)\C=C\C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC(=C6)[S](O)(=O)=O)N(CCO)CCO)[S](O)(=O)=O)N(CCO)CCO
• InChI: 1S/C40H44N12O16S4/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62/h1-12,21-24,53-56H,13-20H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b8-7+
• InChIKey: NCIZQSIIFQYLMW-BQYQJAHWSA-N

Properties

• Density: 1.739g/cm³ (Cal.)