Products 3091879-41-0

CAS 3091879-41-0 appears in our catalog under these names: Cyanine 5.5 DBCO (chloride), Cyanine 5.5 DBCO. Offered by: MedChemExpress, Sigma-Aldrich. Available pack sizes: Get quote, 5MG.

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

N-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanamide chloride (CAS 3091879-41-0) is a chemical compound with the molecular formula C61H63ClN4O2 and a molecular weight of 919.6 g/mol. IUPAC name: N-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanamide chloride. InChIKey: YCAKZJOUZSGKNO-UHFFFAOYSA-N.

Identity
Molecular formulaC61H63ClN4O2
Molecular weight919.6 g/mol
IUPAC nameN-[6-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-6-oxohexyl]-6-[1,1-dimethyl-2-[5-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)penta-2,4-dienylidene]benzo[e]indol-3-yl]hexanamide chloride
InChIKeyYCAKZJOUZSGKNO-UHFFFAOYSA-N
SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC=CC=C4C(C5=C(N4CCCCCC(=O)NCCCCCC(=O)N6CC7=CC=CC=C7C#CC8=CC=CC=C86)C=CC9=CC=CC=C95)(C)C)C.[Cl-]

Computed by PubChem (NCBI)

Synonyms: orb3136476