Products 162411-31-6

CAS 162411-31-6 appears in our catalog under these names: 2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide, 98%, NIR 5e, NIR 5E >=80% (HPCE), BIOREAGENT, S&. Offered by: Chemat Brand, TRC, Sigma-Aldrich. Available pack sizes: on request, 25mg, 1MG.

2-(2-(2-Chloro-3-(2-(3-(3-isothiocyanatopropyl)-1,1-dimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)ethylidene)cyclohex-1-en-1-yl)vinyl)-3-(3-isothiocyanatopropyl)-1,1-dimethyl-1H-benzo[e]indol-3-ium bromide, 98%
Chemat Brand
  • size: on request
  • Variants: 1
View product
NIR 5e
TRC
  • size: 25mg
  • Variants: 1
View product
NIR 5E >=80% (HPCE), BIOREAGENT, S&
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 1725.00
View product
Structural formula: {0} (CAS {1})

(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[3-(3-isothiocyanatopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(3-isothiocyanatopropyl)-1,1-dimethylbenzo[e]indole bromide (CAS 162411-31-6) is a chemical compound with the molecular formula C46H46BrClN4S2 and a molecular weight of 834.4 g/mol. IUPAC name: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[3-(3-isothiocyanatopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(3-isothiocyanatopropyl)-1,1-dimethylbenzo[e]indole bromide. InChIKey: NTQGWDKAUSUQIS-UHFFFAOYSA-M.

Identity
Molecular formulaC46H46BrClN4S2
Molecular weight834.4 g/mol
IUPAC name(2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-[3-(3-isothiocyanatopropyl)-1,1-dimethylbenzo[e]indol-3-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3-(3-isothiocyanatopropyl)-1,1-dimethylbenzo[e]indole bromide
InChIKeyNTQGWDKAUSUQIS-UHFFFAOYSA-M
SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCN=C=S)/C=C/C4=C(/C(=C/C=C\5/C(C6=C(N5CCCN=C=S)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.[Br-]

Computed by PubChem (NCBI)