Tetrasodium 2-[[8-[[4-Chloro-6-[[4-(6-Methyl-5-Sulphonatobenzothiazol-2-Yl)Phenyl]Amino]-1,3,5-Triaz
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Product Description
Product
Tetrasodium 2-[[8-[[4-Chloro-6-[[4-(6-Methyl-5-Sulphonatobenzothiazol-2-Yl)Phenyl]Amino]-1,3,5-Triaz
CAS
94231-76-2
Formula
C34H19ClN8Na4O12S4; C34H23ClN8O12S4.4Na
Typical Product Specifications
Molecular weight
987.23
EINECS
303-896-4
SMILES
c1(S(=O)(=O)[O-])c(c(c2c(Nc3nc(nc(n3)Cl)Nc3ccc(c4nc5cc(S(=O)(=O)[O-])c(cc5s4)C)cc3)cc(S(=O)(=O)[O-])cc2c1)O)/N=N/c1c(C(=O)[O-])cccc1.[Na+].[Na+].[Na+].[Na+]
InChI
SGBQWDBCOGFBFC-OCZBQVCASA-J
InChIKey
1S/C34H23ClN8O12S4.4Na/c1-15-10-24-22(14-25(15)58(50,51)52)37-30(56-24)16-6-8-18(9-7-16)36-33-39-32(35)40-34(41-33)38-23-13-19(57(47,48)49)11-17-12-26(59(53,54)55)28(29(44)27(17)23)43-42-21-5-3-2-4-20(21)31(45)46;;;;/h2-14,44H,1H3,(H,45,46)(H,47,48,4
Class
Tetrasodium 2-[[8-[[4-Chloro-6-[[4-(6-Methyl-5-Sulphonatobenzothiazol-2-Yl)Phenyl]Amino]-1,3,5-Triaz
Product Description
Product
Tetrasodium 2-[[8-[[4-Chloro-6-[[4-(6-Methyl-5-Sulphonatobenzothiazol-2-Yl)Phenyl]Amino]-1,3,5-Triaz
CAS
94231-76-2
Formula
C34H19ClN8Na4O12S4; C34H23ClN8O12S4.4Na
Typical Product Specifications
Molecular weight
987.23
EINECS
303-896-4
SMILES
c1(S(=O)(=O)[O-])c(c(c2c(Nc3nc(nc(n3)Cl)Nc3ccc(c4nc5cc(S(=O)(=O)[O-])c(cc5s4)C)cc3)cc(S(=O)(=O)[O-])cc2c1)O)/N=N/c1c(C(=O)[O-])cccc1.[Na+].[Na+].[Na+].[Na+]
InChI
SGBQWDBCOGFBFC-OCZBQVCASA-J
InChIKey
1S/C34H23ClN8O12S4.4Na/c1-15-10-24-22(14-25(15)58(50,51)52)37-30(56-24)16-6-8-18(9-7-16)36-33-39-32(35)40-34(41-33)38-23-13-19(57(47,48)49)11-17-12-26(59(53,54)55)28(29(44)27(17)23)43-42-21-5-3-2-4-20(21)31(45)46;;;;/h2-14,44H,1H3,(H,45,46)(H,47,48,4
Class
