Products 207399-07-3

CAS 207399-07-3 appears in our catalog under these names: Ir-780 iodide, 95%, IR-780 Iodide/ 99.98% (existing batch purity), IR 780, 11-Chloro-1,1'-di-n-propyl-3,3,3',3'-tetramethyl-10,12-trime, IR-780 iodide. Offered by: Combi-blocks, TargetMol, GLPBio, Thermo Scientific (Alfa Aesar), Biosynth. Available pack sizes: 5g, 250mg, 1g, 25mg, 50mg, 100mg, 200mg, 500mg.

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

(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole iodide (CAS 207399-07-3) is a chemical compound with the molecular formula C36H44ClIN2 and a molecular weight of 667.1 g/mol. IUPAC name: (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole iodide. InChIKey: IRPKBYJYVJOQHQ-UHFFFAOYSA-M.

Identity
Molecular formulaC36H44ClIN2
Molecular weight667.1 g/mol
IUPAC name(2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole iodide
InChIKeyIRPKBYJYVJOQHQ-UHFFFAOYSA-M
SMILESCCCN\1C2=CC=CC=C2C(/C1=C\C=C\3/CCCC(=C3Cl)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)CCC)(C)C.[I-]

Computed by PubChem (NCBI)