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Substance Name: 2-((4,5-Diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene)methyl)-3-ethyl-5-((1-ethylquinolin-4(1H)-ylidene)ethylidene)-4-oxothiazolium
RN: 93857-86-4
InChIKey: OVDBZLXPSPWOBD-YFBGTTAQSA-N

Molecular Formula

  • C38-H37-N3-O4-S3

Molecular Weight

  • 695.9253
 
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Names and Synonyms

Synonym

  • EINECS 299-219-4

Systematic Name

  • 2-((4,5-Diphenyl-3-(4-sulphonatobutyl)thiazol-2(3H)-ylidene)methyl)-3-ethyl-5-((1-ethylquinolin-4(1H)-ylidene)ethylidene)-4-oxothiazolium

Registry Numbers

CAS Registry Number

  • 93857-86-4

System Generated Number

  • 0093857864

Structure Descriptors

InChI

1S/C38H37N3O4S3/c1-3-39-25-23-28(31-19-11-12-20-32(31)39)21-22-33-38(42)40(4-2)34(46-33)27-35-41(24-13-14-26-48(43,44)45)36(29-15-7-5-8-16-29)37(47-35)30-17-9-6-10-18-30/h5-12,15-23,25,27H,3-4,13-14,24,26H2,1-2H3/b28-21-,33-22+

InChIKey

OVDBZLXPSPWOBD-YFBGTTAQSA-N

Smiles

CCN1C=C/C(=C/C=C/2\C(=O)[N+](=C(S2)/C=C\3/N(C(=C(S3)c4ccccc4)c5ccccc5)CCCCS(=O)(=O)[O-])CC)/c6c1cccc6