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Substance Name: 2-(4-((4-Ethoxyphenyl)methylamino)phenyl)-1-ethylbenz(cd)indolium dihydrogen phosphate
RN: 83968-88-1
InChIKey: GIQDBOOAWFEOGH-UHFFFAOYSA-M

Molecular Formula

  • C28-H27-N2-O.H2-O4-P

Molecular Weight

  • 504.5201
 
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Names and Synonyms

Synonym

  • EINECS 281-567-3

Systematic Names

  • 2-(4-((4-Ethoxyphenyl)methylamino)phenyl)-1-ethylbenz(cd)indolium dihydrogen phosphate
  • Benz(cd)indolium, 2-(4-((4-ethoxyphenyl)methylamino)phenyl)-1-ethyl-, phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 83968-88-1

System Generated Number

  • 0083968881

Molecular Formulas

Molecular Formula

  • C28-H27-N2-O.H2-O4-P

Molecular Formula Fragments

  • C28-H27-N2-O
  • COMPONENT
  • H2-O4-P

Structure Descriptors

InChI

1S/C28H27N2O.H3O4P/c1-4-30-26-11-7-9-20-8-6-10-25(27(20)26)28(30)21-12-14-22(15-13-21)29(3)23-16-18-24(19-17-23)31-5-2;1-5(2,3)4/h6-19H,4-5H2,1-3H3;(H3,1,2,3,4)/q+1;/p-1

InChIKey

GIQDBOOAWFEOGH-UHFFFAOYSA-M

Smiles

CC[N+]1=C(c2cccc3c2c1ccc3)c4ccc(cc4)N(C)c5ccc(cc5)OCC.OP(=O)(O)[O-]