InChI: | InChI=1/C27H22N6O8S.2Na/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36;;/h2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40);;/q;2*+1/p-2/b32-30+,33-31+;; |
Specification: |
The cas register number of Direct Yellow 44 is 8005-52-5. It also can be called as Sirius Yellow GC and the Systematic name about this chemical is disodium 2-hydroxy-5-[(E)-{4-[({2-methoxy-4-[(E)-(3-sulfonatophenyl)diazenyl]phenyl}carbamoyl)amino]phenyl}diazenyl]benzoate. It belongs to the following product categories, such as Dyes and Pigments, UVCBs-organic-metal salts and so on.
Physical properties about Direct Yellow 44 are: (1)#H bond acceptors: 14; (2)#H bond donors: 5; (3)#Freely Rotating Bonds: 10; (4)Polar Surface Area: 225.74Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].COc3cc(ccc3NC(=O)Nc2ccc(/N=N/c1cc(C([O-])=O)c(O)cc1)cc2)/N=N/c4cccc(c4)S([O-])(=O)=O
(2)InChI: InChI=1/C27H22N6O8S.2Na/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36;;/h2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40);;/q;2*+1/p-2/b32-30+,33-31+;;
(3)InChIKey: PBOIUUROGJVVNC-VJUAWJPIBV
(4)Std. InChI: InChI=1S/C27H22N6O8S.2Na/c1-41-25-15-20(33-31-18-3-2-4-21(13-18)42(38,39)40)9-11-23(25)29-27(37)28-16-5-7-17(8-6-16)30-32-19-10-12-24(34)22(14-19)26(35)36;;/h2-15,34H,1H3,(H,35,36)(H2,28,29,37)(H,38,39,40);;/q;2*+1/p-2/b32-30+,33-31+;;
(5)Std. InChIKey: PBOIUUROGJVVNC-WKLYGGTQSA-L
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