Dodecyl 4-Chloro-3,5-Bis[[4,4-Dimethyl-2-[5-(Isopropyl)-2-[[(4-Tolyl)Sulphonyl]Imino]-1,3,4-Thiadiazole-3(2H)-Yl]-1,3-Dioxopentyl]Amino]Benzoate
[CAS# 68588-51-2]

Identification

• Name: Dodecyl 4-Chloro-3,5-Bis[[4,4-Dimethyl-2-[5-(Isopropyl)-2-[[(4-Tolyl)Sulphonyl]Imino]-1,3,4-Thiadiazole-3(2H)-Yl]-1,3-Dioxopentyl]Amino]Benzoate
• Synonyms: Dodecyl 4-Chloro-3,5-Bis[[4,4-Dimethyl-2-[2-(4-Methylphenyl)Sulfonylimino-5-Propan-2-Yl-1,3,4-Thiadiazol-3-Yl]-3-Oxopentanoyl]Amino]Benzoate; Dodecyl 4-Chloro-3,5-Bis[[2-[(2Z)-5-Isopropyl-2-(4-Methylphenyl)Sulfonylimino-1,3,4-Thiadiazol-3-Yl]-4,4-Dimethyl-3-Oxo-Pentanoyl]Amino]Benzoate; Dodecyl 4-Chloro-3,5-Bis[[2-[5-Isopropyl-2-(4-Methylphenyl)Sulfonylimino-1,3,4-Thiadiazol-3-Yl]-4,4-Dimethyl-3-Oxo-Pentanoyl]Amino]Benzoate
• Molecular Formula: C₅₇H₇₇ClN₈O₁₀S₄
• Molecular Weight: 1197.98
• CAS Registry Number: 68588-51-2
• EINECS: 271-613-0
• SMILES: C3=C(C=C(NC(=O)C(N1N=C(SC1=N[S](=O)(=O)C2=CC=C(C=C2)C)C(C)C)C(=O)C(C)(C)C)C(=C3NC(=O)C(N4N=C(SC4=N[S](=O)(=O)C5=CC=C(C=C5)C)C(C)C)C(=O)C(C)(C)C)Cl)C(OCCCCCCCCCCCC)=O
• InChI: 1S/C57H77ClN8O10S4/c1-14-15-16-17-18-19-20-21-22-23-32-76-53(71)39-33-42(59-49(69)45(47(67)56(8,9)10)65-54(77-51(61-65)35(2)3)63-79(72,73)40-28-24-37(6)25-29-40)44(58)43(34-39)60-50(70)46(48(68)57(11,12)13)66-55(78-52(62-66)36(4)5)64-80(74,75)41-30-26-38(7)27-31-41/h24-31,33-36,45-46H,14-23,32H2,1-13H3,(H,59,69)(H,60,70)
• InChIKey: BTUQYAJHKIOHHX-UHFFFAOYSA-N

Properties

• Density: 1.296g/cm³ (Cal.)