2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-su
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Product Description
Product
2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-su
CAS
85536-90-9
Formula
C24H21N3O14S4.xNa
Typical Product Specifications
EINECS
287-577-4
SMILES
[Na+].[Na+].[Na+].S(=O)(=O)([O-])OCCS(=O)(=O)c1cc2c(c(S(=O)(=O)[O-])c(/N=N/c3c(S(=O)(=O)[O-])cc4c(c3O)ccc(NC(=O)C)c4)cc2)cc1
InChI
CLRRAQYMPGJCLQ-DTBIJOOYSA-K
InChIKey
1S/C24H21N3O14S4.3Na/c1-13(28)25-16-3-5-18-15(10-16)12-21(43(32,33)34)22(23(18)29)27-26-20-7-2-14-11-17(4-6-19(14)24(20)44(35,36)37)42(30,31)9-8-41-45(38,39)40;;;/h2-7,10-12,29H,8-9H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b2
Class
2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-su
Product Description
Product
2-[[6-acetamido-1-hydroxy-3-sulpho-2-naphthyl]azo]-6-[[2-(sulphooxy)ethyl]sulphonyl]naphthalene-1-su
CAS
85536-90-9
Formula
C24H21N3O14S4.xNa
Typical Product Specifications
EINECS
287-577-4
SMILES
[Na+].[Na+].[Na+].S(=O)(=O)([O-])OCCS(=O)(=O)c1cc2c(c(S(=O)(=O)[O-])c(/N=N/c3c(S(=O)(=O)[O-])cc4c(c3O)ccc(NC(=O)C)c4)cc2)cc1
InChI
CLRRAQYMPGJCLQ-DTBIJOOYSA-K
InChIKey
1S/C24H21N3O14S4.3Na/c1-13(28)25-16-3-5-18-15(10-16)12-21(43(32,33)34)22(23(18)29)27-26-20-7-2-14-11-17(4-6-19(14)24(20)44(35,36)37)42(30,31)9-8-41-45(38,39)40;;;/h2-7,10-12,29H,8-9H2,1H3,(H,25,28)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3/b2
Class
