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Substance Name: Benzothiazolium, 5-methyl-2-(2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
RN: 25746-37-6
InChIKey: ZVWNIZCYHTZLQZ-UHFFFAOYSA-N

Molecular Formula

  • C27-H32-N2-O6-S4.C6-H15-N

Molecular Weight

  • 710.013
 
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Names and Synonyms

Synonyms

  • Anhydro-5,5'-dimethyl-9-ethyl-3,3'-bis(gamma-sulfopropyl)-2,2'-thiacarbocyanine hydroxide, triethylammonium salt
  • EINECS 247-229-4

Systematic Names

  • Benzothiazolium, 5-methyl-2-(2-((5-methyl-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-methyl-2-(2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
  • Hydrogen 2-(((5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)

Registry Numbers

CAS Registry Number

  • 25746-37-6

System Generated Number

  • 0025746376

Molecular Formulas

Molecular Formula

  • C27-H32-N2-O6-S4.C6-H15-N

Molecular Formula Fragments

  • C27-H32-N2-O6-S4
  • C6-H15-N
  • COMPONENT

Structure Descriptors

InChI

1S/C27H32N2O6S4.C6H15N/c1-4-21(17-26-28(11-5-13-38(30,31)32)22-15-19(2)7-9-24(22)36-26)18-27-29(12-6-14-39(33,34)35)23-16-20(3)8-10-25(23)37-27;1-4-7(5-2)6-3/h7-10,15-18H,4-6,11-14H2,1-3H3,(H-,30,31,32,33,34,35);4-6H2,1-3H3

InChIKey

ZVWNIZCYHTZLQZ-UHFFFAOYSA-N

Smiles

c12N(CCCS(=O)(=O)O)\C(=C\C(CC)=C\c3[n+](CCCS(=O)(=O)[O-])c4cc(ccc4s3)C)Sc1ccc(C)c2.N(CC)(CC)CC