2,2'-[(E)-1,2-Ethenediyl]Bis[5-({4-[Bis(2-Hydroxyethyl)Amino]-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl}Amino)Benzenesulfonic Acid]
[CAS# 52232-33-4]

Identification

• Name: 2,2'-[(E)-1,2-Ethenediyl]Bis[5-({4-[Bis(2-Hydroxyethyl)Amino]-6-[(3-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl}Amino)Benzenesulfonic Acid]
• Synonyms: 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-(m-sulphoanilino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid; 4,4'-bis(2-di(2-hydroxyethyl)amino-4-(3-sulphophenylamino)-1,3,5-triazine-6-ylamino)stilbene-2,2'-disulphonic acid; 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-(m-sulphoanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid
• Molecular Formula: C₄₀H₄₄N₁₂O₁₆S₄
• Molecular Weight: 1077.11
• CAS Registry Number: 52232-33-4
• SMILES: O=S(=O)(O)c1cccc(c1)Nc2nc(nc(n2)N(CCO)CCO)Nc3ccc(c(c3)S(=O)(=O)O)\C=C\c4ccc(cc4S(=O)(=O)O)Nc5nc(nc(n5)N(CCO)CCO)Nc6cccc(c6)S(=O)(=O)O
• 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.)