4-Amino-5-Hydroxy-6-[[4-[[4-[[2-Hydroxy-4-[(O-Tolyl)Amino]Phenyl]Azo]Phenyl]Amino]-3-Sulphophenyl]Az
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Product Description
Product
4-Amino-5-Hydroxy-6-[[4-[[4-[[2-Hydroxy-4-[(O-Tolyl)Amino]Phenyl]Azo]Phenyl]Amino]-3-Sulphophenyl]Az
CAS
94200-88-1
Formula
C41H29N10Na3O13S3; C41H32N10O13S3.xNa
Typical Product Specifications
Molecular weight
1,034.89
EINECS
303-568-0
SMILES
c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1cc(S(=O)(=O)[O-])c(Nc2ccc(/N=N/c3c(cc(Nc4c(C)cccc4)cc3)O)cc2)cc1)O)N)/N=N/c1ccc([N+](=O)[O-])cc1.[Na+].[Na+].[Na+]
InChI
IQMLFXWSIIYWIM-JBDTURPZSA-K
InChIKey
1S/C41H32N10O13S3.3Na/c1-22-4-2-3-5-30(22)44-27-12-16-31(33(52)20-27)48-45-25-8-6-24(7-9-25)43-32-17-13-28(21-34(32)65(56,57)58)47-50-40-36(67(62,63)64)19-23-18-35(66(59,60)61)39(38(42)37(23)41(40)53)49-46-26-10-14-29(15-11-26)51(54)55;;;/h2-21,43-44
Class
4-Amino-5-Hydroxy-6-[[4-[[4-[[2-Hydroxy-4-[(O-Tolyl)Amino]Phenyl]Azo]Phenyl]Amino]-3-Sulphophenyl]Az
Product Description
Product
4-Amino-5-Hydroxy-6-[[4-[[4-[[2-Hydroxy-4-[(O-Tolyl)Amino]Phenyl]Azo]Phenyl]Amino]-3-Sulphophenyl]Az
CAS
94200-88-1
Formula
C41H29N10Na3O13S3; C41H32N10O13S3.xNa
Typical Product Specifications
Molecular weight
1,034.89
EINECS
303-568-0
SMILES
c1(S(=O)(=O)[O-])c(c(c2c(c(c(S(=O)(=O)[O-])cc2c1)/N=N/c1cc(S(=O)(=O)[O-])c(Nc2ccc(/N=N/c3c(cc(Nc4c(C)cccc4)cc3)O)cc2)cc1)O)N)/N=N/c1ccc([N+](=O)[O-])cc1.[Na+].[Na+].[Na+]
InChI
IQMLFXWSIIYWIM-JBDTURPZSA-K
InChIKey
1S/C41H32N10O13S3.3Na/c1-22-4-2-3-5-30(22)44-27-12-16-31(33(52)20-27)48-45-25-8-6-24(7-9-25)43-32-17-13-28(21-34(32)65(56,57)58)47-50-40-36(67(62,63)64)19-23-18-35(66(59,60)61)39(38(42)37(23)41(40)53)49-46-26-10-14-29(15-11-26)51(54)55;;;/h2-21,43-44
Class
