InChI: | InChI=1/C29H22ClN3O10S3.2Na/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20;;/h2-16,33-34H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2 |
Specification: |
The Disodium(3Z)-3-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-5-[(4-methylphenyl), with the CAS registry number 6416-66-6, has the IUPAC name of disodium (3Z)-3-[(5-chloro-2-phenoxyphenyl)hydrazinylidene]-5-[(4-methylphenyl) sulfonylamino]-4-oxonaphthalene-2,7-disulfonate. For being a kind of dark red powder, it is easily soluble in water and slightly soluble in ethanol, with its product categories including organics.
The characteristics of this chemical are as follows: (1)#H bond acceptors: 13; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 9; (4)Polar Surface Area: 239.89; (5)Exact Mass: 746.979473; (6)MonoIsotopic Mass: 746.979473; (7)Topological Polar Surface Area: 236; (8)Heavy Atom Count: 48; (9)Complexity: 1480; (10)Defined Bond StereoCenter Count: 1; (11)Covalently-Bonded Unit Count: 3.
The production method of this chemical: prepare the raw material of 5-chloro-2-phenoxyaniline and N-p-carbophenylsulfonyl H ic acid, and then diazotize the former and next couple with the latter to produce the crude products; Lastly, go through the process of salting out, filtering and drying to obtain this products.
As to its usage, it is widely applied in many ways. It could be used in dyeing of wool in neutral dye bath, and also in direct printing of silk, nylon, and wool fabric; It could also be used in the color matching and shading.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C=CC
(=C4)Cl)OC5=CC=CC=C5)C3=O)S(=O)(=O)[O-].[Na+].[Na+]
(2)Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N\NC4=C(C=
CC(=C4)Cl)OC5=CC=CC=C5)/C3=O)S(=O)(=O)[O-].[Na+].[Na+]
(3)InChI: InChI=1S/C29H22ClN3O10S3.2Na/c1-17-7-10-21(11-8-17)44(35,36)33-24-16-22(45(37,38)39)13-18-14-26(46(40,41)42)28(29(34)27(18)24)32-31-23-15-19(30)9-12-25(23)43-20-5-3-2-4-6-20;;/h2-16,31,33H,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2/b32-28+;;
(4)InChIKey: UHSRCNCAJFUQHB-RTFAEJQKSA-L
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