IR-7

cas: 1895075-45-2 — see every product listed under this CAS number, including other names

IR-7 (CAS 1895075-45-2) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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Structural formula: {0} (CAS {1})

4-[3-[(2E)-2-[(2E)-2-[3-[(E)-2-[1-[3-(4-carboxyphenoxy)propyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propoxy]benzoic acid bromide (CAS 1895075-45-2) is a chemical compound with the molecular formula C50H52BrClN2O6 and a molecular weight of 892.3 g/mol. IUPAC name: 4-[3-[(2E)-2-[(2E)-2-[3-[(E)-2-[1-[3-(4-carboxyphenoxy)propyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propoxy]benzoic acid bromide. InChIKey: AOSKOPYJWNYUFA-UHFFFAOYSA-N.

Identity
Molecular formulaC50H52BrClN2O6
Molecular weight892.3 g/mol
IUPAC name4-[3-[(2E)-2-[(2E)-2-[3-[(E)-2-[1-[3-(4-carboxyphenoxy)propyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propoxy]benzoic acid bromide
InChIKeyAOSKOPYJWNYUFA-UHFFFAOYSA-N
SMILESCC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4CCCOC6=CC=C(C=C6)C(=O)O)(C)C)/CCC3)Cl)CCCOC7=CC=C(C=C7)C(=O)O)C.[Br-]

Computed by PubChem (NCBI)

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