NIR 5e

cas: 162411-31-6 — see every product listed under this CAS number, including other names

NIR 5e (CAS 162411-31-6) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: TRC.

brandTRC
catalog numberTRC-N481513-25MG
cas162411-31-6
size25mg
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Available pack sizes

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TRC 25mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
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)

Also listed as

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 CAS 162411-31-6
NIR 5E >=80% (HPCE), BIOREAGENT, S& Sigma-Aldrich CAS 162411-31-6