1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[4-chloro-6-[[4-
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Product Description
Product
1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[4-chloro-6-[[4-
CAS
82522-67-6
Formula
C44H38Cl2N16O18S5.5Na
Typical Product Specifications
EINECS
279-988-2
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].COc1cc(N=Nc2cc(c3cccc(c3c2)S(=O)(=O)O)S(=O)(=O)O)c(C)cc1Nc4nc(Cl)nc(NCC(O)CNc5nc(Cl)nc(Nc6ccc(N=Nc7cc8c(cc(cc8cc7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c(c6)\N=C(\N)/O)n5)n4
InChI
CBGROAWKIMTAJA-VGXKOXSSSA-N
InChIKey
1S/C44H38Cl2N16O18S5.5Na/c1-19-8-31(33(80-2)16-29(19)61-59-22-11-27-25(35(13-22)83(71,72)73)4-3-5-34(27)82(68,69)70)52-44-56-39(46)54-42(58-44)49-18-23(63)17-48-41-53-38(45)55-43(57-41)50-21-6-7-28(30(12-21)51-40(47)64)60-62-32-15-26-20(10-37(32)85(7
Class
1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[4-chloro-6-[[4-
Product Description
Product
1,3,6-Naphthalenetrisulfonic acid, 7-[[2-[(aminocarbonyl)amino]-4-[[4-chloro-6-[[3-[[4-chloro-6-[[4-
CAS
82522-67-6
Formula
C44H38Cl2N16O18S5.5Na
Typical Product Specifications
EINECS
279-988-2
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].COc1cc(N=Nc2cc(c3cccc(c3c2)S(=O)(=O)O)S(=O)(=O)O)c(C)cc1Nc4nc(Cl)nc(NCC(O)CNc5nc(Cl)nc(Nc6ccc(N=Nc7cc8c(cc(cc8cc7S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c(c6)\N=C(\N)/O)n5)n4
InChI
CBGROAWKIMTAJA-VGXKOXSSSA-N
InChIKey
1S/C44H38Cl2N16O18S5.5Na/c1-19-8-31(33(80-2)16-29(19)61-59-22-11-27-25(35(13-22)83(71,72)73)4-3-5-34(27)82(68,69)70)52-44-56-39(46)54-42(58-44)49-18-23(63)17-48-41-53-38(45)55-43(57-41)50-21-6-7-28(30(12-21)51-40(47)64)60-62-32-15-26-20(10-37(32)85(7
Class
