2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylb
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Product Description
Product
2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylb
CAS
70942-27-7
Formula
C26H28BrIN2O2S2; C26H28BrN2O2S2.I
Synonym
2-(2-((5-Bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene)methyl)buten-1-yl)-3-ethyl-5,6-dimethylbenzothiazolium iodide; 2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide; 5-Bromo-3-(2-carboxyethyl)-2-(2-ethyl-3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-1-propenyl)benzothiazolium iodide; Benzothiazolium, 2-(2-((5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-ethyl-5,6-dimethyl-, iodide (1:1); Benzothiazolium, 2-(2-((5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-ethyl-5,6-dimethyl-, iodide; EINECS 275-034-4
Typical Product Specifications
Molecular weight
671.45
EINECS
275-034-4
SMILES
s1c([n+](c2c1cc(c(c2)C)C)CC)\C=C(\CC)\C=C1/Sc2c(N1CCC(=O)O)cc(cc2)Br.[IH-]
InChI
ZDHQPVVLXPNUHD-UHFFFAOYSA-N
InChIKey
1S/C26H27BrN2O2S2.HI/c1-5-18(13-24-28(6-2)20-11-16(3)17(4)12-23(20)33-24)14-25-29(10-9-26(30)31)21-15-19(27)7-8-22(21)32-25;/h7-8,11-15H,5-6,9-10H2,1-4H3;1H
Class
2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylb
Product Description
Product
2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylb
CAS
70942-27-7
Formula
C26H28BrIN2O2S2; C26H28BrN2O2S2.I
Synonym
2-(2-((5-Bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene)methyl)buten-1-yl)-3-ethyl-5,6-dimethylbenzothiazolium iodide; 2-[2-[[5-bromo-3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]buten-1-yl]-3-ethyl-5,6-dimethylbenzothiazolium iodide; 5-Bromo-3-(2-carboxyethyl)-2-(2-ethyl-3-(3-ethyl-5,6-dimethyl-2(3H)-benzothiazolylidene)-1-propenyl)benzothiazolium iodide; Benzothiazolium, 2-(2-((5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-3-ethyl-5,6-dimethyl-, iodide (1:1); Benzothiazolium, 2-(2-((5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-3-ethyl-5,6-dimethyl-, iodide; EINECS 275-034-4
Typical Product Specifications
Molecular weight
671.45
EINECS
275-034-4
SMILES
s1c([n+](c2c1cc(c(c2)C)C)CC)\C=C(\CC)\C=C1/Sc2c(N1CCC(=O)O)cc(cc2)Br.[IH-]
InChI
ZDHQPVVLXPNUHD-UHFFFAOYSA-N
InChIKey
1S/C26H27BrN2O2S2.HI/c1-5-18(13-24-28(6-2)20-11-16(3)17(4)12-23(20)33-24)14-25-29(10-9-26(30)31)21-15-19(27)7-8-22(21)32-25;/h7-8,11-15H,5-6,9-10H2,1-4H3;1H
Class
