2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl
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Product Description
Product
2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl
CAS
85959-26-8
Formula
C28H22N10O11S2
Typical Product Specifications
Molecular weight
738.66
EINECS
289-017-4
SMILES
CC1=NN(C(=O)C1/N=N/c2cc(c(cc2[N+](=O)[O-])/N=N/c3ccc(cc3)Nc4ccc(cc4S(=O)(=O)O)[N+](=O)[O-])N)c5ccc(cc5)S(=O)(=O)O
InChI
XJQHTSDHQKFAMT-HSBKYFPUSA-N
InChIKey
1S/C28H22N10O11S2/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49/h2-14,27,30H,29H2,1H3,(H,44,45,46)(H,47,48,49)/b32-31+,34-33+
Class
2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl
Product Description
Product
2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl
CAS
85959-26-8
Formula
C28H22N10O11S2
Typical Product Specifications
Molecular weight
738.66
EINECS
289-017-4
SMILES
CC1=NN(C(=O)C1/N=N/c2cc(c(cc2[N+](=O)[O-])/N=N/c3ccc(cc3)Nc4ccc(cc4S(=O)(=O)O)[N+](=O)[O-])N)c5ccc(cc5)S(=O)(=O)O
InChI
XJQHTSDHQKFAMT-HSBKYFPUSA-N
InChIKey
1S/C28H22N10O11S2/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49/h2-14,27,30H,29H2,1H3,(H,44,45,46)(H,47,48,49)/b32-31+,34-33+
Class
