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Substance Name: 2-(2-((5-Bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-6-chloro-1-(3-sulphonatopropyl)quinolinium
RN: 52450-03-0
InChIKey: GLLQOQWZQQOWTA-UHFFFAOYSA-N

Molecular Formula

  • C26-H26-Br-Cl-N2-O3-S2

Molecular Weight

  • 593.991
 
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Names and Synonyms

Synonym

  • EINECS 257-928-6

Systematic Name

  • 2-(2-((5-Bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl)but-1-enyl)-6-chloro-1-(3-sulphonatopropyl)quinolinium

Registry Numbers

CAS Registry Number

  • 52450-03-0

System Generated Number

  • 0052450030

Structure Descriptors

InChI

1S/C26H26BrClN2O3S2/c1-3-18(15-26-29(4-2)24-17-20(27)7-11-25(24)34-26)14-22-9-6-19-16-21(28)8-10-23(19)30(22)12-5-13-35(31,32)33/h6-11,14-17H,3-5,12-13H2,1-2H3

InChIKey

GLLQOQWZQQOWTA-UHFFFAOYSA-N

Smiles

S(CCC[n+]1c(ccc2cc(Cl)ccc12)\C=C(/C=C1/N(c2c(S1)ccc(Br)c2)CC)CC)([O-])(=O)=O