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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 > bobo-1
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic halide salt > organic iodide salt > bobo-1
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > halide salt > iodide salt > organic iodide salt > bobo-1
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > halide salt > iodide salt > organic iodide salt > bobo-1

Preferred term

bobo-1  

Type

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

Broader concept

charge

  • 0

formula

  • C41H54I4N6S2

has_part

has_role

inchi

  • InChI=1S/C41H54N6S2.4HI/c1-42-36-14-7-9-16-38(36)48-40(42)32-34-18-24-44(25-19-34)22-11-28-46(3,4)30-13-31-47(5,6)29-12-23-45-26-20-35(21-27-45)33-41-43(2)37-15-8-10-17-39(37)49-41;;;;/h7-10,14-21,24-27,32-33H,11-13,22-23,28-31H2,1-6H3;4*1H/q+4;;;;/p-4

inchikey

  • TYBKADJAOBUHAD-UHFFFAOYSA-J

mass

  • 1202.65778

monoisotopicmass

  • 1202.00302

smiles

  • [I-].[I-].[I-].[I-].[H]C(=C1C=CN(CCC[N+](C)(C)CCC[N+](C)(C)CCCN2C=CC(C=C2)=C([H])c2sc3ccccc3[n+]2C)C=C1)c1sc2ccccc2[n+]1C

subset

  • 3_STAR

synonym EXACT

  • 2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylpyridin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzothiazol-3-ium) tetraiodide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51878

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