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Substance Name: Quinolinium, 2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)-, inner salt
RN: 65168-09-4
InChIKey: BSUPFFCHEVXXFV-UHFFFAOYSA-N

Molecular Formula

  • C24-H26-N2-O6-S3

Molecular Weight

  • 534.675
 
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Names and Synonyms

Synonym

  • 2-((5-Methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)quinolinium hydroxide, inner salt

Systematic Name

  • Quinolinium, 2-((5-methyl-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene)methyl)-1-(3-sulfopropyl)-, inner salt

Registry Numbers

CAS Registry Number

  • 65168-09-4

System Generated Number

  • 0065168094

Structure Descriptors

InChI

1S/C24H26N2O6S3/c1-18-8-11-23-22(16-18)26(13-5-15-35(30,31)32)24(33-23)17-20-10-9-19-6-2-3-7-21(19)25(20)12-4-14-34(27,28)29/h2-3,6-11,16-17H,4-5,12-15H2,1H3,(H-,27,28,29,30,31,32)

InChIKey

BSUPFFCHEVXXFV-UHFFFAOYSA-N

Smiles

C1(\N(c2cc(C)ccc2S1)CCCS(=O)(=O)O)=C\c1[n+](c2ccccc2cc1)CCCS(=O)(=O)[O-]