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Substance Name: 3-Allyl-5-(2-(3-ethylbenzothiazol-2(3H)-ylidene)-1-phenylethylidene)-2-((3-ethyl-4,5-diphenylthiazol-2(3H)-ylidene)methyl)-4-oxothiazolium iodide
RN: 84434-28-6
InChIKey: PPNGMEQPRPNCQT-WGCVPYJQSA-M

Molecular Formula

  • C41-H36-N3-O-S3.I

Molecular Weight

  • 809.8534
 
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Names and Synonyms

Synonym

  • EINECS 282-827-9

Systematic Name

  • 3-Allyl-5-(2-(3-ethylbenzothiazol-2(3H)-ylidene)-1-phenylethylidene)-2-((3-ethyl-4,5-diphenylthiazol-2(3H)-ylidene)methyl)-4-oxothiazolium iodide

Registry Numbers

CAS Registry Number

  • 84434-28-6

System Generated Number

  • 0084434286

Molecular Formulas

Molecular Formula

  • C41-H36-N3-O-S3.I

Molecular Formula Fragments

  • C41-H36-N3-O-S3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C41H36N3OS3.HI/c1-4-26-44-37(28-36-43(6-3)38(30-20-12-8-13-21-30)39(47-36)31-22-14-9-15-23-31)48-40(41(44)45)32(29-18-10-7-11-19-29)27-35-42(5-2)33-24-16-17-25-34(33)46-35;/h4,7-25,27-28H,1,5-6,26H2,2-3H3;1H/q+1;/p-1/b35-27-,40-32-;

InChIKey

PPNGMEQPRPNCQT-WGCVPYJQSA-M

Smiles

CCN\1c2ccccc2S/C1=C\C(=C\3/C(=O)[N+](=C(S3)/C=C\4/N(C(=C(S4)c5ccccc5)c6ccccc6)CC)CC=C)\c7ccccc7.[I-]