Chemical Compound

IR-820

CAS Registry Number 172616-80-7
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IR-820 chemical structure
Primary Record

IR-820

In stock
6,307 g
Purity
99.6 %
CAS
172616-80-7

Compound Identifiers & Properties

CAS
172616-80-7
PubChem CID
137331163
SMILES
CC1(C(=[N+](C2=C1C3=CC=CC=C3C=C2)CCCCS(=O)(=O)O)/C=C/C4=C(/C(=C/C=C\5/C(C6=C(N5CCCCS(=O)(=O)O)C=CC7=CC=CC=C76)(C)C)/CCC4)Cl)C.[Na]
Canonical SMILES
CC1(C)C(/C=C/C2=C(Cl)/C(=C/C=C3\N(CCCCS(=O)(=O)O)c4ccc5ccccc5c4C3(C)C)CCC2)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21.[Na]

Names & Synonyms

  • IR-820
  • 616I807
  • 172616-80-7