InChI: | InChI=1/C20H22N4O12S3.2K/c1-12-19(20(25)24(23-12)13-4-6-14(7-5-13)38(28,29)30)22-21-15-10-17(35-3)18(11-16(15)34-2)37(26,27)9-8-36-39(31,32)33;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b22-21+;; |
Specification: |
The Reactive Yellow 17 ,its cas register number is 20317-19-5.It also can be called as 4-[4-[[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid dipotassium salt and the IUPAC name about this chemicals is Dipotassium 4-[4-[[2,5-dimethoxy-4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate .It can be used for cotton, hemp, silk and other fiber dyeing and printing.
This chemicals can be described computed from structure:
(1)Canonical SMILES: CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)[O-])OC)C3=CC=C(C=C3)S(=O)(=O)[O-].[K+].[K+]
(2)InChI: InChI=1S/C20H22N4O12S3.2K/c1-12-19(20(25)24(23-12)13-4-6-14(7-5-13)38(28,29)30)22-21-15-10-17(35-3)18(11-16(15)34-2)37(26,27)9-8-36-39(31,32)33;;/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
(3)InChIKey: LQIMMPDNWRQSCT-UHFFFAOYSA-L
|