Products 1416808-87-1

CAS 1416808-87-1 is the registry number for Coppersensor 790 Acetoxymethyl Ester. Offered by: TRC. Available pack sizes: 50mg.

Coppersensor 790 Acetoxymethyl Ester
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Acetyloxymethyl 3-[2-[(2E)-2-[3-[(E)-2-[1-[3-(acetyloxymethoxy)-3-oxopropyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-[4-(3-methylsulfanylpropylamino)-3-(3-methylsulfanylpropylsulfanyl)phenoxy]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propanoate bromide (CAS 1416808-87-1) is a chemical compound with the molecular formula C56H70BrN3O9S3 and a molecular weight of 1105.3 g/mol. IUPAC name: acetyloxymethyl 3-[2-[(2E)-2-[3-[(E)-2-[1-[3-(acetyloxymethoxy)-3-oxopropyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-[4-(3-methylsulfanylpropylamino)-3-(3-methylsulfanylpropylsulfanyl)phenoxy]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propanoate bromide. InChIKey: KICKDUODXWONIO-UHFFFAOYSA-M.

Identity
Molecular formulaC56H70BrN3O9S3
Molecular weight1105.3 g/mol
IUPAC nameacetyloxymethyl 3-[2-[(2E)-2-[3-[(E)-2-[1-[3-(acetyloxymethoxy)-3-oxopropyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-[4-(3-methylsulfanylpropylamino)-3-(3-methylsulfanylpropylsulfanyl)phenoxy]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]propanoate bromide
InChIKeyKICKDUODXWONIO-UHFFFAOYSA-M
SMILESCC(=O)OCOC(=O)CCN1C2=CC=CC=C2C(C1=C/C=C/3\CCCC(=C3OC4=CC(=C(C=C4)NCCCSC)SCCCSC)/C=C/C5=[N+](C6=CC=CC=C6C5(C)C)CCC(=O)OCOC(=O)C)(C)C.[Br-]

Computed by PubChem (NCBI)

Synonyms: Coppersensor 790 Acetoxymethyl Ester