4-4'-Bis[[4-Anilino-6-[(2-Carbamoylethyl)(2-Hydroxyethyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Stilbene-2,2'-Disulphonic Acid
[CAS# 66085-71-0]

Identification

• Name: 4-4'-Bis[[4-Anilino-6-[(2-Carbamoylethyl)(2-Hydroxyethyl)Amino]-1,3,5-Triazin-2-Yl]Amino]Stilbene-2,2'-Disulphonic Acid
• Synonyms: 5-[[4-[(3-Amino-3-Oxo-Propyl)-(2-Hydroxyethyl)Amino]-6-(Phenylamino)-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-[(3-Amino-3-Oxo-Propyl)-(2-Hydroxyethyl)Amino]-6-(Phenylamino)-1,3,5-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Vinyl]Benzenesulfonic Acid; 5-[[4-[(3-Amino-3-Oxopropyl)-(2-Hydroxyethyl)Amino]-6-(Phenylamino)-1,3,5-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-[(3-Amino-3-Oxopropyl)-(2-Hydroxyethyl)Amino]-6-(Phenylamino)-1,3,5-Triazin-2-Yl]Amino]-2-Sulfophenyl]Vinyl]Benzenesulfonic Acid; 5-[[4-[(3-Amino-3-Keto-Propyl)-(2-Hydroxyethyl)Amino]-6-(Phenylamino)-S-Triazin-2-Yl]Amino]-2-[(E)-2-[4-[[4-[(3-Amino-3-Keto-Propyl)-(2-Hydroxyethyl)Amino]-6-(Phenylamino)-S-Triazin-2-Yl]Amino]-2-Sulfo-Phenyl]Vinyl]Benzenesulfonic Acid
• Molecular Formula: C₄₂H₄₆N₁₄O₁₀S₂
• Molecular Weight: 971.03
• CAS Registry Number: 66085-71-0
• EINECS: 266-132-8
• SMILES: C1=C(C=CC(=C1[S](=O)(=O)O)\C=C\C2=CC=C(C=C2[S](=O)(=O)O)NC3=NC(=NC(=N3)N(CCC(=O)N)CCO)NC4=CC=CC=C4)NC5=NC(=NC(=N5)N(CCC(=O)N)CCO)NC6=CC=CC=C6
• InChI: 1S/C42H46N14O10S2/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54)/b12-11+
• InChIKey: FYHAKIYWVTVEOS-VAWYXSNFSA-N

Properties

• Density: 1.583g/cm³ (Cal.)