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Substance Name: 5-((2-Ethoxy-2-oxoethoxy)carbonyl)-1,3,3-trimethyl-2-(2-(5-nitro-1-(2-oxo-2-(2-oxopropoxy)ethyl)-2-phenyl-1H-indol-3-yl)vinyl)-3H-indolium iodide
RN: 85029-83-0
InChIKey: RBJZXYZTXWYEKD-UHFFFAOYSA-M

Molecular Formula

  • C37-H36-N3-O9.I

Molecular Weight

  • 793.6034
 
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Names and Synonyms

Synonym

  • EINECS 285-108-8

Systematic Name

  • 5-((2-Ethoxy-2-oxoethoxy)carbonyl)-1,3,3-trimethyl-2-(2-(5-nitro-1-(2-oxo-2-(2-oxopropoxy)ethyl)-2-phenyl-1H-indol-3-yl)vinyl)-3H-indolium iodide

Registry Numbers

CAS Registry Number

  • 85029-83-0

System Generated Number

  • 0085029830

Molecular Formulas

Molecular Formula

  • C37-H36-N3-O9.I

Molecular Formula Fragments

  • C37-H36-N3-O9
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C37H36N3O9.HI/c1-6-47-34(43)22-49-36(44)25-12-15-31-29(18-25)37(3,4)32(38(31)5)17-14-27-28-19-26(40(45)46)13-16-30(28)39(20-33(42)48-21-23(2)41)35(27)24-10-8-7-9-11-24;/h7-19H,6,20-22H2,1-5H3;1H/q+1;/p-1

InChIKey

RBJZXYZTXWYEKD-UHFFFAOYSA-M

Smiles

CCOC(=O)COC(=O)c1ccc2c(c1)C(C(=[N+]2C)/C=C/c3c4cc(ccc4n(c3c5ccccc5)CC(=O)OCC(=O)C)[N+](=O)[O-])(C)C.[I-]