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Substance Name: Flexsol
RN: 77536-62-0
InChIKey: KQSBQZULRPAMPA-KVFCCTBZSA-L

Molecular Formula

  • C22-H30-Cl2-N10.C9-H9-Hg-O2-S.2C6-H12-O7.Na

Molecular Weight

  • 1090.4239
 
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Names and Synonyms

Name of Substance

  • Flexsol

Systematic Name

  • D-Gluconic acid, compd. with N,N''-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1), mixt. with sodium ethyl(2-mercaptobenzoato(2-)-O,S)mercurate(1-)

Registry Numbers

CAS Registry Number

  • 77536-62-0

System Generated Number

  • 0077536620

Molecular Formulas

Molecular Formula

  • C22-H30-Cl2-N10.C9-H9-Hg-O2-S.2C6-H12-O7.Na

Molecular Formula Fragments

  • C22-H30-Cl2-N10
  • C6-H12-O7
  • C9-H9-Hg-O2-S
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C22H30Cl2N10.C7H6O2S.C6H12O6.C2H5.Hg.Na/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;8-7(9)5-3-1-2-4-6(5)10;7-1-2-3(8)4(9)5(10)6(11)12-2;1-2;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);1-4,10H,(H,8,9);2-11H,1H2;1H2,2H3;;/q;;;;2*+1/p-2/t;;2-,3-,4+,5-,6-;;;/m..1.../s1

InChIKey

KQSBQZULRPAMPA-KVFCCTBZSA-L

Smiles

[Na+].CC[Hg-]1OC(=O)c2ccccc2S1.OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]3O.Clc4ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc5ccc(Cl)cc5)cc4