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Substance Name: Phenol, 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis(4-octyl-, calcium salt (1:?)
RN: 68568-82-1
InChIKey: RWWNWXPUTUJRBY-UHFFFAOYSA-L

Molecular Formula

  • C49-H79-N3-O3.x-Ca

Molecular Weight

  • 796.243
 
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Names and Synonyms

Synonyms

  • EINECS 271-504-8
  • N,N-Bis-(2-(2-hydroxy-5-octylbenzylamino)ethyl)-2-hydroxy-5-octylbenzylamine, calcium salt

Systematic Names

  • Calcium 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(ethane-1,2-diyliminomethylene))bis(4-octylphenolate)
  • Phenol, 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis(4-octyl-, calcium salt
  • Phenol, 2,2'-((((2-hydroxy-5-octylphenyl)methyl)imino)bis(2,1-ethanediyliminomethylene))bis(4-octyl-, calcium salt (1:?)

Registry Numbers

CAS Registry Number

  • 68568-82-1

System Generated Number

  • 0068568821

Molecular Formulas

Molecular Formula

  • C49-H79-N3-O3.x-Ca

Molecular Formula Fragments

  • C49-H79-N3-O3
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/C49H79N3O3.Ca/c1-4-7-10-13-16-19-22-41-25-28-47(53)44(35-41)38-50-31-33-52(40-46-37-43(27-30-49(46)55)24-21-18-15-12-9-6-3)34-32-51-39-45-36-42(26-29-48(45)54)23-20-17-14-11-8-5-2;/h25-30,35-37,50-51,53-55H,4-24,31-34,38-40H2,1-3H3;/q;+2/p-2

InChIKey

RWWNWXPUTUJRBY-UHFFFAOYSA-L

Smiles

c1(c(ccc(c1)CCCCCCCC)O)CN(CCNCc1c(ccc(c1)CCCCCCCC)[O-])CCNCc1c(ccc(c1)CCCCCCCC)[O-].[Ca+2]