Products 1417164-91-0

CAS 1417164-91-0 is the registry number for Coppersensor 790. Offered by: TRC. Available pack sizes: 25mg.

Coppersensor 790
TRC
  • size: 25mg
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

3-[(2E)-2-[(2E)-2-[3-[(Z)-2-[1-(2-carboxyethyl)-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]propanoic acid bromide (CAS 1417164-91-0) is a chemical compound with the molecular formula C50H62BrN3O5S3 and a molecular weight of 961.1 g/mol. IUPAC name: 3-[(2E)-2-[(2E)-2-[3-[(Z)-2-[1-(2-carboxyethyl)-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]propanoic acid bromide. InChIKey: YINZKHBFQCIWCB-UHFFFAOYSA-N.

Identity
Molecular formulaC50H62BrN3O5S3
Molecular weight961.1 g/mol
IUPAC name3-[(2E)-2-[(2E)-2-[3-[(Z)-2-[1-(2-carboxyethyl)-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]propanoic acid bromide
InChIKeyYINZKHBFQCIWCB-UHFFFAOYSA-N
SMILESCC1(C2=CC=CC=C2[N+](=C1/C=C\C3=C(/C(=C/C=C/4\C(C5=CC=CC=C5N4CCC(=O)O)(C)C)/CCC3)OC6=CC(=C(C=C6)NCCCSC)SCCCSC)CCC(=O)O)C.[Br-]

Computed by PubChem (NCBI)

Synonyms: Coppersensor 790