2-[[5-amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl]azo]-4-[[5-chloro-6-methyl-2-(methylsulphony
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Product Description
Product
2-[[5-amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl]azo]-4-[[5-chloro-6-methyl-2-(methylsulphony
CAS
83399-92-2
Formula
C22H19ClN8Na2O8S3; C22H21ClN8O8S3.xNa
Typical Product Specifications
Molecular weight
701.06
EINECS
280-405-9
SMILES
Cc1c(c(n(n1)c2cccc(c2)S(=O)(=O)[O-])N)/N=N/c3cc(ccc3S(=O)(=O)[O-])Nc4c(c(nc(n4)S(=O)(=O)C)C)Cl.[Na+].[Na+]
InChI
NRLNNDNGHIBWEA-NTDCDQSISA-L
InChIKey
1S/C22H21ClN8O8S3.2Na/c1-11-18(23)21(27-22(25-11)40(3,32)33)26-13-7-8-17(42(37,38)39)16(9-13)28-29-19-12(2)30-31(20(19)24)14-5-4-6-15(10-14)41(34,35)36;;/h4-10H,24H2,1-3H3,(H,25,26,27)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b29-28+;;
Class
2-[[5-amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl]azo]-4-[[5-chloro-6-methyl-2-(methylsulphony
Product Description
Product
2-[[5-amino-3-methyl-1-(3-sulphophenyl)-1H-pyrazol-4-yl]azo]-4-[[5-chloro-6-methyl-2-(methylsulphony
CAS
83399-92-2
Formula
C22H19ClN8Na2O8S3; C22H21ClN8O8S3.xNa
Typical Product Specifications
Molecular weight
701.06
EINECS
280-405-9
SMILES
Cc1c(c(n(n1)c2cccc(c2)S(=O)(=O)[O-])N)/N=N/c3cc(ccc3S(=O)(=O)[O-])Nc4c(c(nc(n4)S(=O)(=O)C)C)Cl.[Na+].[Na+]
InChI
NRLNNDNGHIBWEA-NTDCDQSISA-L
InChIKey
1S/C22H21ClN8O8S3.2Na/c1-11-18(23)21(27-22(25-11)40(3,32)33)26-13-7-8-17(42(37,38)39)16(9-13)28-29-19-12(2)30-31(20(19)24)14-5-4-6-15(10-14)41(34,35)36;;/h4-10H,24H2,1-3H3,(H,25,26,27)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2/b29-28+;;
Class
