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Substance Name: Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, compd with N,N-diethylethanamine (1:1)
RN: 27268-50-4
InChIKey: ONJDQJZWBDZPHG-UHFFFAOYSA-N

Molecular Formula

  • C25-H26-Cl2-N2-O6-S4.C6-H15-N

Molecular Weight

  • 750.85
 
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Names and Synonyms

Synonyms

  • 5,5'-Dichloro-3,3'-bis(3'-sulfopropyl)-9-ethylthiacarbocyanine, triethylammonium salt
  • 5-Chloro-2-(2-((5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)benzothiazolium inner salt, triethylamine salt
  • Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)

Systematic Names

  • Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, compd with N,N-diethylethanamine (1:1)
  • Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)

Registry Numbers

CAS Registry Number

  • 27268-50-4

System Generated Number

  • 0027268504

Molecular Formulas

Molecular Formula

  • C25-H26-Cl2-N2-O6-S4.C6-H15-N

Molecular Formula Fragments

  • C25-H26-Cl2-N2-O6-S4
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C25H26Cl2N2O6S4.C6H15N/c1-2-17(13-24-28(9-3-11-38(30,31)32)20-15-18(26)5-7-22(20)36-24)14-25-29(10-4-12-39(33,34)35)21-16-19(27)6-8-23(21)37-25;1-4-7(5-2)6-3/h5-8,13-16H,2-4,9-12H2,1H3,(H-,30,31,32,33,34,35);4-6H2,1-3H3

InChIKey

ONJDQJZWBDZPHG-UHFFFAOYSA-N

Smiles

N(CC)(CC)CC.s1c([n+](c2c1ccc(c2)Cl)CCCS(=O)(=O)[O-])\C=C(\CC)\C=C1\Sc2c(N1CCCS(=O)(=O)O)cc(cc2)Cl