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Substance Name: Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(4-sulfobutyl)-, inner salt
RN: 20904-74-9
InChIKey: MBCYYQMJNFIFQX-UHFFFAOYSA-N

Molecular Formula

  • C27-H30-Cl2-N2-O6-S4

Molecular Weight

  • 677.712
 
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Names and Synonyms

Synonym

  • EINECS 244-108-8

Systematic Names

  • Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-(4-sulfobutyl)-, inner salt
  • Benzothiazolium, 5-chloro-2-(2-((5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(4-sulfobutyl)-, inner salt
  • Hydrogen 5-chloro-2-(2-((5-chloro-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-(4-sulphonatobutyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 20904-74-9

Other Registry Number

  • 97607-11-9

System Generated Number

  • 0020904749

Structure Descriptors

InChI

1S/C27H30Cl2N2O6S4/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37)

InChIKey

MBCYYQMJNFIFQX-UHFFFAOYSA-N

Smiles

C(CCCS(=O)(=O)[O-])[n+]1c2c(sc1\C=C(/C=C1\Sc3c(cc(cc3)Cl)N1CCCCS(O)(=O)=O)CC)ccc(c2)Cl