Products 201024-57-9

CAS 201024-57-9 appears in our catalog under these names: IR-813 perchlorate, IR 813 (perchlorate). Offered by: TRC, MedChemExpress. Available pack sizes: 50mg, Get quote.

IR-813 perchlorate
TRC
  • size: 50mg
  • Variants: 1
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IR 813 (perchlorate)
MedChemExpress
  • size: Get quote
  • Variants: 1
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Structural formula: {0} (CAS {1})

2-[2-[2-chloro-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole perchlorate (CAS 201024-57-9) is a chemical compound with the molecular formula C40H40Cl2N2O4 and a molecular weight of 683.7 g/mol. IUPAC name: 2-[2-[2-chloro-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole perchlorate. InChIKey: QUUNBGLRLXAGFO-UHFFFAOYSA-M.

Identity
Molecular formulaC40H40Cl2N2O4
Molecular weight683.7 g/mol
IUPAC name2-[2-[2-chloro-3-[2-(1,1,3-trimethylbenzo[e]indol-3-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,1,3-trimethylbenzo[e]indole perchlorate
InChIKeyQUUNBGLRLXAGFO-UHFFFAOYSA-M
SMILESCC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)C)C=CC4=C(C(=CC=C5C(C6=C(N5C)C=CC7=CC=CC=C76)(C)C)CCC4)Cl)C.[O-]Cl(=O)(=O)=O

Computed by PubChem (NCBI)

Synonyms: orb2565951