6222-55-5 Purity
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Specification
The molecular formula is C26H22N3NaO5S.
Some synonyms include Sodium 3-((4-(benzoylethylamino)-2-methylphenyl)azo)-4-hydroxynaphthalene-1-sulphonate and 1-Naphthalenesulfonic acid, 3-((4-(benzoylethylamino)-2-methylphenyl)azo)-4-hydroxy-, monosodium salt.
The molecular weight is 511.5 g/mol.
The IUPAC name is sodium;3-[[4-[benzoyl(ethyl)amino]-2-methylphenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonate.
The InChIKey is WQTYENAMNCPEFL-UHFFFAOYSA-M.
The Canonical SMILES representation is CCN(C1=CC(=C(C=C1)N=NC2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)[O-])O)C)C(=O)C4=CC=CC=C4.[Na+].
The CAS number is 6245-59-6.
It has one hydrogen bond donor count.
The topological polar surface area is 131 Ų.
It has six rotatable bond counts.