94277-56-2 Purity
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The molecular formula of the compound is C44H56Cl4N10Zn.
The synonyms of the compound are EINECS 304-651-4, Bis(3-((4-(diethylamino)-o-tolyl)azo)-1,2-dimethyl-5-phenyl-1H-pyrazolium) tetrachlorozincate, 94277-66-4, and DTXSID80241373.
The compound was created on April 19, 2013, and last modified on December 30, 2023.
The molecular weight of the compound is 932.2 g/mol.
The component compounds are Tetrachlorozincate(2-) and 4-[(1,2-dimethyl-5-phenylpyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methylaniline.
The IUPAC name of the compound is 4-[(1,2-dimethyl-5-phenylpyrazol-2-ium-3-yl)diazenyl]-N,N-diethyl-3-methylaniline;tetrachlorozinc(2-).
The InChI key of the compound is MRPBOJCWMMBVON-UHFFFAOYSA-J.
The canonical SMILES of the compound is CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2)C3=CC=CC=C3)C)C)C.CCN(CC)C1=CC(=C(C=C1)N=NC2=[N+](N(C(=C2)C3=CC=CC=C3)C)C)C.Cl[Zn-2](Cl)(Cl)Cl.
The CAS number of the compound is 94277-66-4.
Computed properties include molecular weight, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and whether the compound is canonicalized.