The Mordant Red 19, with the CAS registry number 1934-24-3 and EINECS registry number 217-701-4, has the systematic name and IUPAC name of sodium 5-chloro-2-hydroxy-3-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzenesulfonate. It is a kind of red powder. And the molecular formula of the chemical is C16H12ClN4NaO5S.
The characteristics of Mordant Red 19 are as followings: (1)H-Bond Donor 1; (2)H-Bond Acceptor 8; (3)Rotatable Bond Count 4; (4)Tautomer Count 11; (5)Exact Mass 430.011463; (6)MonoIsotopic Mass 430.011463; (7)Topological Polar Surface Area 140; (8)Heavy Atom Count 28; (9)Formal Charge 0; (10)Complexity 901; (11)Isotope Atom Count 0; (12)Defined Atom StereoCenter Count 0; (13)Undefined Atom StereoCenter Count 1; (14)Defined Bond StereoCenter Count 1; (15)Undefined Bond StereoCenter Count 0; (16)Covalently-Bonded Unit Count 2.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)c3cc(Cl)cc(/N=N/C2C(\C)=N/N(c1ccccc1)C2=O)c3O
(2)InChI: InChI=1/C16H13ClN4O5S.Na/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26;/h2-8,14,22H,1H3,(H,24,25,26);/q;+1/p-1/b19-18+
(3)InChIKey: IJXYCMDHQBXUJW-DHXRSRIQBO
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