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71873-51-3

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Basic Information
CAS No.: 71873-51-3
Name: disodium 2,5-dichloro-4-[4-[[5-[[(dodecyloxy)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
Molecular Structure:
Molecular Structure of 71873-51-3 (disodium 2,5-dichloro-4-[4-[[5-[[(dodecyloxy)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate)
Formula: C29H35Cl2N5Na2O9S2
Molecular Weight: 778.63
Synonyms: Benzenesulfonicacid,2,5-dichloro-4-[4-[[5-[[(dodecyloxy)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-,disodium salt (9CI);
EINECS: 276-127-2
Density: 1.29[at 20℃]
Solubility: 55.13g/L at 20℃
PSA: 230.37000
LogP: 9.03690
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Specification

This chemical is called Benzenesulfonic acid, 2,5-dichloro-4-[4-[2-[5-[[(dodecyloxy)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-,sodium salt (1:2), and its CAS registry number is 71873-51-3. With the molecular formula of C29H35Cl2N5Na2O9S2, its molecular weight is 778.63. Additionally, its product category is Organics.

Other characteristics of the Benzenesulfonic acid, 2,5-dichloro-4-[4-[2-[5-[[(dodecyloxy)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-,sodium salt (1:2) can be summarised as followings: (1)#H bond acceptors: 14; (2)#H bond donors: 3; (3)#Freely Rotating Bonds: 18; (4)Polar Surface Area: 226.88 Å2.

You can still convert the following datas into molecular structure: 
1.SMILES: [Na+].[Na+].CCCCCCCCCCCCOC(=O)Nc3cc(N=NC2C(\C)=N/N(c1cc(Cl)c(cc1Cl)S([O-])(=O)=O)C2=O)c(cc3)S([O-])(=O)=O
2.InChI: InChI=1/C29H37Cl2N5O9S2.2Na/c1-3-4-5-6-7-8-9-10-11-12-15-45-29(38)32-20-13-14-25(46(39,40)41)23(16-20)33-34-27-19(2)35-36(28(27)37)24-17-22(31)26(18-21(24)30)47(42,43)44;;/h13-14,16-18,27H,3-12,15H2,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2
3.InChIKey: HKAOXGYNZYWYAQ-NUQVWONBAB