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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
RN: 23368-55-0
InChIKey: OCKFAYCPGGIZTF-UHFFFAOYSA-N

Molecular Formula

  • C27-H32-N2-O6-S4

Molecular Weight

  • 608.822
 
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Names and Synonyms

Synonyms

  • 3,3'-Disulfopropyl-5,5'-dimethyl-9-ethylthiacarbocyanine
  • EINECS 245-615-7

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
  • Benzothiazolium, 5-methyl-2-(2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-(3-sulfopropyl)-, inner salt
  • Hydrogen 5-methyl-2-(2-((5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-3-(3-sulphonatopropyl)benzothiazolium

Registry Numbers

CAS Registry Number

  • 23368-55-0

Other Registry Numbers

  • 42942-97-2
  • 88216-25-5

System Generated Number

  • 0023368550

Structure Descriptors

InChI

1S/C27H32N2O6S4/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/h7-10,15-18H,4-6,11-14H2,1-3H3,(H-,30,31,32,33,34,35)

InChIKey

OCKFAYCPGGIZTF-UHFFFAOYSA-N

Smiles

O=S(=O)([O-])CCC[n+]1c2c(sc1\C=C(/C=C1/N(c3c(ccc(C)c3)S1)CCCS(=O)(=O)O)CC)ccc(C)c2