InChI: | InChI=1/C11H18N2O2.H2O4S/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15;1-5(2,3)4/h2-4,12-15H,5-8H2,1H3;(H2,1,2,3,4) |
Specification: |
The 2,6-Bis(2-hydroxyethylamino)toluene sulfate with cas registry number of 144930-25-6, whose systematic name is ethanol, 2,2'-[(2-methyl-1,3-phenylene)diimino]bis-, sulfate (1:1) (salt). It is also called 2,2'-[(2-Methyl-1,3-phenylene)diimino]diethanol sulfate (1:1); 2,6-Bis-(β-hydroxyethylamino)toluene (sulfate).
You can still convert the following datas into molecular structure:
(1)SMILES:Cc1c(cccc1NCCO)NCCO.OS(=O)(=O)O;
(2)InChI:InChI=1/C11H18N2O2.H2O4S/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15;1-5(2,3)4/h2-4,12-15H,5-8H2,1H3;(H2,1,2,3,4); (3)InChIKey:WQTXYOCDCWYTTM-UHFFFAOYAI;
(4)Std. InChI:InChI=1S/C11H18N2O2.H2O4S/c1-9-10(12-5-7-14)3-2-4-11(9)13-6-8-15;1-5(2,3)4/h2-4,12-15H,5-8H2,1H3;(H2,1,2,3,4);
(5)Std. InChIKey:WQTXYOCDCWYTTM-UHFFFAOYSA-N
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