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Substance Name: 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)
RN: 32527-15-4
InChIKey: DXMVSZQXZAMXJA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C20-H18-O6-S2

Molecular Weight

  • 418.488
 
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Names and Synonyms

Synonyms

  • 2,4-Hexadiyn-1,6-bis-p-toluenesulfonate
  • 4-11-00-00318 (Beilstein Handbook Reference)
  • BRN 2188611
  • EINECS 251-082-1

Systematic Names

  • 2,4-Hexadiyne-1,6-diol, 1,6-bis(4-methylbenzenesulfonate)
  • 2,4-Hexadiyne-1,6-diol, bis(4-methylbenzenesulfonate)
  • 2,4-Hexadiyne-1,6-diol, di-p-toluenesulfonate
  • Hexa-2,4-diyne-1,6-diyl bis(4-methylbenzenesulphonate)

Registry Numbers

CAS Registry Number

  • 32527-15-4

Other Registry Numbers

  • 139943-35-4
  • 83840-71-5

System Generated Number

  • 0032527154

Structure Descriptors

InChI

1S/C20H18O6S2/c1-17-7-11-19(12-8-17)27(21,22)25-15-5-3-4-6-16-26-28(23,24)20-13-9-18(2)10-14-20/h7-14H,15-16H2,1-2H3

InChIKey

DXMVSZQXZAMXJA-UHFFFAOYSA-N

Smiles

c1(S(OCC#CC#CCOS(c2ccc(C)cc2)(=O)=O)(=O)=O)ccc(C)cc1