94236-81-4 Purity
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Specification
The molecular formula is C18H15N6NaO5S.
The synonyms are 94236-85-8, Sodium 2-(4-((2,4-diaminophenyl)azo)anilino)-5-nitrobenzenesulphonate, EINECS 304-082-1, and SODIUM 2-[4-[(2,4-DIAMINOPHENYL)AZO]ANILINO]-5-NITROBENZENESULFONATE.
The molecular weight is 450.4 g/mol.
The IUPAC name is sodium;2-[4-[(2,4-diaminophenyl)diazenyl]anilino]-5-nitrobenzenesulfonate.
The InChI is InChI=1S/C18H16N6O5S.Na/c19-11-1-7-16(15(20)9-11)23-22-13-4-2-12(3-5-13)21-17-8-6-14(24(25)26)10-18(17)30(27,28)29;/h1-10,21H,19-20H2,(H,27,28,29);/q;+1/p-1.
The InChIKey is DXNMFOPLDOLPJP-UHFFFAOYSA-M.
The canonical SMILES is C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])N=NC3=C(C=C(C=C3)N)N.[Na+].
The CAS number is 94236-85-8.
The European Community (EC) number is 304-082-1.
The hydrogen bond donor count is 3.