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Substance Name: EINECS 303-420-5
RN: 94199-47-0
InChIKey: CHNFGGOKYDDEOH-ONTUSIFWSA-N

Molecular Formula

  • C45-H59-Cl-N5-O6-S2.K

Molecular Weight

  • 904.6731
 
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Names and Synonyms

Results Name

  • EINECS 303-420-5

Synonym

  • EINECS 303-420-5

Systematic Name

  • 1,3,4-Thiadiazole-3(2H)-acetamide, N-(5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-alpha-(2,2-dimethyl-1-oxopropyl)-5-(1-methylethyl)-2-(((4-methylphenyl)sulfonyl)imino)-, ion(1-), potassium

Registry Numbers

CAS Registry Number

  • 94199-47-0

System Generated Number

  • 0094199470

Molecular Formulas

Molecular Formula

  • C45-H59-Cl-N5-O6-S2.K

Molecular Formula Fragments

  • C45-H59-Cl-N5-O6-S2
  • COMPONENT
  • K

Structure Descriptors

InChI

1S/C45H59ClN5O6S2.K/c1-13-44(9,10)30-19-24-36(33(26-30)45(11,12)14-2)57-25-15-16-37(52)47-31-20-23-34(46)35(27-31)48-40(54)38(39(53)43(6,7)8)51-42(58-41(49-51)28(3)4)50-59(55,56)32-21-17-29(5)18-22-32;/h17-24,26-28H,13-16,25H2,1-12H3,(H,47,52)(H,48,54);/q-1;+1/b50-42-;

InChIKey

CHNFGGOKYDDEOH-ONTUSIFWSA-N

Smiles

CCC(C)(C)c1ccc(c(c1)C(C)(C)CC)OCCCC(=O)Nc2ccc(c(c2)NC(=O)[C-](C(=O)C(C)(C)C)n3/c(=N/S(=O)(=O)c4ccc(cc4)C)/sc(n3)C(C)C)Cl.[K+]