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Substance Name: Hydrogen 2-(2-((5,6-dimethyl-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzoselenazolium, sodium salt
RN: 52513-84-5
InChIKey: OJUJVJAFAALQBE-UHFFFAOYSA-M

Molecular Formula

  • C29-H36-N2-O6-S2-Se2.Na

Molecular Weight

  • 754.6613
 
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Names and Synonyms

Synonym

  • EINECS 257-984-1

Systematic Name

  • Hydrogen 2-(2-((5,6-dimethyl-3-(3-sulphonatopropyl)-3H-benzoselenazol-2-ylidene)methyl)but-1-enyl)-5,6-dimethyl-3-(3-sulphonatopropyl)benzoselenazolium, sodium salt

Registry Numbers

CAS Registry Number

  • 52513-84-5

System Generated Number

  • 0052513845

Molecular Formulas

Molecular Formula

  • C29-H36-N2-O6-S2-Se2.Na

Molecular Formula Fragments

  • C29-H36-N2-O6-S2-Se2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H38N2O6S2Se2.Na/c1-6-23(17-28-30(9-7-11-38(32,33)34)24-13-19(2)21(4)15-26(24)40-28)18-29-31(10-8-12-39(35,36)37)25-14-20(3)22(5)16-27(25)41-29;/h13,15-18,25H,6-12,14H2,1-5H3,(H-,32,33,34,35,36,37);/q;+1/p-1

InChIKey

OJUJVJAFAALQBE-UHFFFAOYSA-M

Smiles

CC/C(=C/C1=[N+](C2CC(=C(C=C2[Se]1)C)C)CCCS(=O)(=O)[O-])/C=C/3\N(c4cc(c(cc4[Se]3)C)C)CCCS(=O)(=O)[O-].[Na+]