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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanine dye > c3-thiacarbocyanine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > organosulfur heterocyclic compound > benzothiazoles > c3-thiacarbocyanine
organic heterocyclic compound > organosulfur heterocyclic compound > benzothiazoles > c3-thiacarbocyanine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > benzothiazoles > c3-thiacarbocyanine
organic heterocyclic compound > organonitrogen heterocyclic compound > benzothiazoles > c3-thiacarbocyanine
organic heterocyclic compound > organic heteropolycyclic compound > organic heterobicyclic compound > benzothiazoles > c3-thiacarbocyanine

Preferred term

c3-thiacarbocyanine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C21H21IN2S2

has_part

has_role

inchi

  • InChI=1S/C21H21N2S2.HI/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1

inchikey

  • VZBILKJHDPEENF-UHFFFAOYSA-M

mass

  • 492.43900

monoisotopicmass

  • 492.01909

smiles

  • [I-].[H]C(=Cc1sc2ccccc2[n+]1CC)C([H])=C1Sc2ccccc2N1CC

subset

  • 3_STAR

synonym EXACT

  • 3-ethyl-2-[3-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzothiazol-3-ium iodide

synonym RELATED

  • C3-Thiacyanine Dye

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51895

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