Trisulfo-Cy5.5-Alkyne

cas: 2055046-12-1 — see every product listed under this CAS number, including other names

Trisulfo-Cy5.5-Alkyne (CAS 2055046-12-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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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

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