Products 2055046-12-1

CAS 2055046-12-1 appears in our catalog under these names: Trisulfo-cy5.5-alkyne, 95%, Trisulfo-Cy5.5-Alkyne. Offered by: Combi-blocks, MedChemExpress. Available pack sizes: 100mg, Get quote.

Trisulfo-cy5.5-alkyne, 95%
Combi-blocks
  • size: 100mg
  • Variants: 1
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Trisulfo-Cy5.5-Alkyne
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-3-[6-oxo-6-(prop-2-ynylamino)hexyl]-8-sulfobenzo[e]indol-3-ium-6-sulfonate (CAS 2055046-12-1) is a chemical compound with the molecular formula C44H47N3O13S4 and a molecular weight of 954.1 g/mol. IUPAC name: 2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-3-[6-oxo-6-(prop-2-ynylamino)hexyl]-8-sulfobenzo[e]indol-3-ium-6-sulfonate. InChIKey: ORXCITITVUDFJM-UHFFFAOYSA-N.

Identity
Molecular formulaC44H47N3O13S4
Molecular weight954.1 g/mol
IUPAC name2-[(1E,3E,5E)-5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-3-[6-oxo-6-(prop-2-ynylamino)hexyl]-8-sulfobenzo[e]indol-3-ium-6-sulfonate
InChIKeyORXCITITVUDFJM-UHFFFAOYSA-N
SMILESCCN\1C2=C(C3=C(C=C2)C(=CC(=C3)S(=O)(=O)O)S(=O)(=O)O)C(/C1=C\C=C\C=C\C4=[N+](C5=C(C4(C)C)C6=C(C=C5)C(=CC(=C6)S(=O)(=O)O)S(=O)(=O)[O-])CCCCCC(=O)NCC#C)(C)C

Computed by PubChem (NCBI)

Synonyms: Trisulfo-Cy5.5-Alkyne, Trisulfo-Cy55-Alkyne