Pentasodium 2-[[1-Hydroxy-3,6-Disulphonato-8-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Benzoyl]Amino]-2
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Product Description
Product
Pentasodium 2-[[1-Hydroxy-3,6-Disulphonato-8-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Benzoyl]Amino]-2
CAS
97043-71-5
Formula
C29H18N3Na5O20S6; C29H23N3O20S6.5Na
Typical Product Specifications
Molecular weight
1,035.80
EINECS
306-321-5
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(c1cc(ccc1)S(=O)(=O)CCOS(=O)(=O)[O-])=O)O)S(=O)(=O)[O-]
InChI
OWALVSYTHHUECO-KPUQBPQBSA-I
InChIKey
1S/C29H23N3O20S6.5Na/c33-27-25-16(12-18(54(37,38)39)14-22(25)30-29(34)15-3-1-4-17(11-15)53(35,36)10-9-52-58(49,50)51)13-24(56(43,44)45)26(27)32-31-21-8-7-19-20(28(21)57(46,47)48)5-2-6-23(19)55(40,41)42;;;;;/h1-8,11-14,33H,9-10H2,(H,30,34)(H,37,38,39)
Class
Pentasodium 2-[[1-Hydroxy-3,6-Disulphonato-8-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Benzoyl]Amino]-2
Product Description
Product
Pentasodium 2-[[1-Hydroxy-3,6-Disulphonato-8-[[3-[[2-(Sulphonatooxy)Ethyl]Sulphonyl]Benzoyl]Amino]-2
CAS
97043-71-5
Formula
C29H18N3Na5O20S6; C29H23N3O20S6.5Na
Typical Product Specifications
Molecular weight
1,035.80
EINECS
306-321-5
SMILES
[Na+].[Na+].[Na+].[Na+].[Na+].c1(c(ccc2c(cccc12)S(=O)(=O)[O-])\N=N\c1c(c2c(cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-])NC(c1cc(ccc1)S(=O)(=O)CCOS(=O)(=O)[O-])=O)O)S(=O)(=O)[O-]
InChI
OWALVSYTHHUECO-KPUQBPQBSA-I
InChIKey
1S/C29H23N3O20S6.5Na/c33-27-25-16(12-18(54(37,38)39)14-22(25)30-29(34)15-3-1-4-17(11-15)53(35,36)10-9-52-58(49,50)51)13-24(56(43,44)45)26(27)32-31-21-8-7-19-20(28(21)57(46,47)48)5-2-6-23(19)55(40,41)42;;;;;/h1-8,11-14,33H,9-10H2,(H,30,34)(H,37,38,39)
Class