4,4'-Bis[4-Morpholino-6-(4-Sulfoanilino)-1,3,5-Triazin-2-Ylamino]-2,2'-Stilbenedisulfonic Acid
[CAS# 51461-29-1]

Identification

• Name: 4,4'-Bis[4-Morpholino-6-(4-Sulfoanilino)-1,3,5-Triazin-2-Ylamino]-2,2'-Stilbenedisulfonic Acid
• Synonyms: 5-[[4-Morpholino-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-Morpholino-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Vinyl]Benzenesulfonic Acid; 5-[[4-Morpholino-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-Morpholino-6-[(4-Sulfophenyl)Amino]-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Vinyl]Benzenesulfonic Acid; 5-[[4-Morpholino-6-[(4-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-Morpholino-6-[(4-Sulfophenyl)Amino]-S-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Vinyl]Benzenesulfonic Acid
• Molecular Formula: C₄₀H₄₀N₁₂O₁₄S₄
• Molecular Weight: 1041.07
• CAS Registry Number: 51461-29-1
• SMILES: C1=C([S](=O)(=O)O)C(=CC=C1NC2=NC(=NC(=N2)NC3=CC=C([S](=O)(=O)O)C=C3)N4CCOCC4)\C=C\C8=CC=C(NC5=NC(=NC(=N5)NC6=CC=C([S](=O)(=O)O)C=C6)N7CCOCC7)C=C8[S](=O)(=O)O
• InChI: 1S/C40H40N12O14S4/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b2-1+
• InChIKey: NPURLJROFREPHW-OWOJBTEDSA-N

Properties

• Density: 1.696g/cm³ (Cal.)