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| CAS No.: | 89504-75-6 |
|---|---|
| Name: | tetrasodium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate |
| Molecular Structure: | |
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| Formula: | C34H26N8Na4O14S4 |
| Molecular Weight: | 990.83452 |
| Synonyms: | [1,1'-Biphenyl]-2,2'-disulfonicacid,4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-5,5'-dimethyl-,tetrasodium salt (9CI); |
| EINECS: | 289-506-2 |
| PSA: | 377.10000 |
| LogP: | 6.66120 |
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- Total:4 Page 1 of 1 1
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Specification
The [1,1'-Biphenyl]-2,2'-disulfonicacid,4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5,5'-dimethyl-,sodium salt (1:4), with CAS registry number 89504-75-6, has the systematic name of tetrasodium 4-methyl-2-[5-methyl-4-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]-2-sulfonato-phenyl]-5-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzenesulfonate. And the chemical formula of this chemical is C34H26N8Na4O14S4. What's more, its EINECS is 289-506-2.
Physical properties of [1,1'-Biphenyl]-2,2'-disulfonicacid,4,4'-bis[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-5,5'-dimethyl-,sodium salt (1:4): (1)#H bond acceptors: 22; (2)#H bond donors: 4; (3)#Freely Rotating Bonds: 11; (4)Polar Surface Area: 377.1 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)N6/N=C(/C)C(N=Nc2cc(c(cc2C)c3cc(C)c(cc3S([O-])(=O)=O)N=NC5C(\C)=N/N(c4ccc(cc4)S([O-])(=O)=O)C5=O)S([O-])(=O)=O)C6=O
(2)InChI: InChI=1/C34H30N8O14S4.4Na/c1-17-13-25(29(59(51,52)53)15-27(17)35-37-31-19(3)39-41(33(31)43)21-5-9-23(10-6-21)57(45,46)47)26-14-18(2)28(16-30(26)60(54,55)56)36-38-32-20(4)40-42(34(32)44)22-7-11-24(12-8-22)58(48,49)50;;;;/h5-16,31-32H,1-4H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4
(3)InChIKey: SJKCTFXYPDUNNP-XBHQNQODAR
(4)Std. InChI: InChI=1S/C34H30N8O14S4.4Na/c1-17-13-25(29(59(51,52)53)15-27(17)35-37-31-19(3)39-41(33(31)43)21-5-9-23(10-6-21)57(45,46)47)26-14-18(2)28(16-30(26)60(54,55)56)36-38-32-20(4)40-42(34(32)44)22-7-11-24(12-8-22)58(48,49)50;;;;/h5-16,31-32H,1-4H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4
(5)Std. InChIKey: SJKCTFXYPDUNNP-UHFFFAOYSA-J