Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance 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
RN: 68588-51-2
InChIKey: BTUQYAJHKIOHHX-LKALXXQVSA-N

Molecular Formula

  • C57-H77-Cl-N8-O10-S4

Molecular Weight

  • 1197.9983
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 271-613-0

Systematic 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

Registry Numbers

CAS Registry Number

  • 68588-51-2

System Generated Number

  • 0068588512

Structure Descriptors

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)/b63-54-,64-55-

InChIKey

BTUQYAJHKIOHHX-LKALXXQVSA-N

Smiles

CCCCCCCCCCCCOC(=O)c1cc(NC(=O)C(N2N=C(S/C/2=N\S(=O)(=O)c3ccc(C)cc3)C(C)C)C(=O)C(C)(C)C)c(Cl)c(NC(=O)C(N4N=C(S/C/4=N\S(=O)(=O)c5ccc(C)cc5)C(C)C)C(=O)C(C)(C)C)c1