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Substance Name: Omocianine [INN]
RN: 154082-13-0
UNII: 5GD5D29K7I
InChIKey: WKWHOLCUESSZIQ-UHFFFAOYSA-N

Note

  • A fluorescent dye.

Molecular Formula

  • C32-H38-N2-O12-S4

Molecular Weight

  • 770.9182
 
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Names and Synonyms

Name of Substance

  • Omocianine [INN]

Synonyms

  • Omocianine
  • Trihydrogen 2-((1E,3E,5E)-7-((2E)-3,3-dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-ylidene)-4-methylhepta-1,3,5-trienyl)-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonate
  • UNII-5GD5D29K7I

Registry Numbers

CAS Registry Number

  • 154082-13-0

FDA UNII

  • 5GD5D29K7I

System Generated Number

  • 0154082130

Structure Descriptors

InChI

1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)

InChIKey

WKWHOLCUESSZIQ-UHFFFAOYSA-N

Smiles

C1(C)(C)c2cc(ccc2[N+](=C1/C=C\C=C(/C=C/C=C1\C(C)(C)c2cc(ccc2N1CCS(=O)(=O)[O-])S(=O)(=O)[O-])C)CCS(=O)(=O)[O-])S(=O)(=O)[O-].[H+].[H+].[H+]