7-Benzothiazolesulfonic acid, 2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propen-
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Product Description
Product
7-Benzothiazolesulfonic acid, 2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propen-
CAS
2498-95-5
Formula
C27H22N4Na2O7S3; C27H24N4O7S3.2Na
Synonym
2-[4-[[2-Cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propenyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid disodium salt; 7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propen-1-yl)amino)phenyl)-6-methyl-, sodium salt (1:2); 7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propenyl)amino)phenyl)-6-methyl-, disodium salt; 7-Benzothiazolesulfonic acid, 2-(p-(alpha-cyano-p-(methyl(2-sulfoethyl)amino)cinnamamido)phenyl)-6-methyl-, disodium salt; 7-Benzothiazolesulfonic acid, 2-4-2-cyano-3-4-methyl(2-sulfoethyl)aminophenyl-1-oxo-2-propenylaminophenyl-6-methyl-, disodium salt; Disodium 2-(4-((2-cyano-3-(4-(methyl(2-sulphonatoethyl)amino)phenyl)-1-oxoallyl)amino)phenyl)-6-methylbenzothiazole-7-sulphonate; disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate; EINECS 219-694-3
Typical Product Specifications
Molecular weight
656.66
EINECS
219-694-3
SMILES
[Na+].[Na+].s1c(nc2c1c(c(cc2)C)S(=O)(=O)[O-])c1ccc(cc1)NC(\C(=C\c1ccc(cc1)N(CCS(=O)(=O)[O-])C)C#N)=O
InChI
RXTSUBROMXGEJZ-ZAWKPCBGSA-L
InChIKey
1S/C27H24N4O7S3.2Na/c1-17-3-12-23-24(25(17)41(36,37)38)39-27(30-23)19-6-8-21(9-7-19)29-26(32)20(16-28)15-18-4-10-22(11-5-18)31(2)13-14-40(33,34)35;;/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b20-15+;;
Class
7-Benzothiazolesulfonic acid, 2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propen-
Product Description
Product
7-Benzothiazolesulfonic acid, 2-[4-[[2-cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propen-
CAS
2498-95-5
Formula
C27H22N4Na2O7S3; C27H24N4O7S3.2Na
Synonym
2-[4-[[2-Cyano-3-[4-[methyl(2-sulfoethyl)amino]phenyl]-1-oxo-2-propenyl]amino]phenyl]-6-methyl-7-benzothiazolesulfonic acid disodium salt; 7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propen-1-yl)amino)phenyl)-6-methyl-, sodium salt (1:2); 7-Benzothiazolesulfonic acid, 2-(4-((2-cyano-3-(4-(methyl(2-sulfoethyl)amino)phenyl)-1-oxo-2-propenyl)amino)phenyl)-6-methyl-, disodium salt; 7-Benzothiazolesulfonic acid, 2-(p-(alpha-cyano-p-(methyl(2-sulfoethyl)amino)cinnamamido)phenyl)-6-methyl-, disodium salt; 7-Benzothiazolesulfonic acid, 2-4-2-cyano-3-4-methyl(2-sulfoethyl)aminophenyl-1-oxo-2-propenylaminophenyl-6-methyl-, disodium salt; Disodium 2-(4-((2-cyano-3-(4-(methyl(2-sulphonatoethyl)amino)phenyl)-1-oxoallyl)amino)phenyl)-6-methylbenzothiazole-7-sulphonate; disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate; EINECS 219-694-3
Typical Product Specifications
Molecular weight
656.66
EINECS
219-694-3
SMILES
[Na+].[Na+].s1c(nc2c1c(c(cc2)C)S(=O)(=O)[O-])c1ccc(cc1)NC(\C(=C\c1ccc(cc1)N(CCS(=O)(=O)[O-])C)C#N)=O
InChI
RXTSUBROMXGEJZ-ZAWKPCBGSA-L
InChIKey
1S/C27H24N4O7S3.2Na/c1-17-3-12-23-24(25(17)41(36,37)38)39-27(30-23)19-6-8-21(9-7-19)29-26(32)20(16-28)15-18-4-10-22(11-5-18)31(2)13-14-40(33,34)35;;/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/b20-15+;;
Class
