Benzothiazolium, 2-[2-[[5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, iodide (1:1)
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![Benzothiazolium, 2-[2-[[5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, iodide (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8754c11b916549d3865faf158b499f04.png "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-buten-1-yl]-3-ethyl-5,6-dimethyl-, iodide (1:1)
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CAS No:
70942-27-7
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Formula:
C26H28BrN2O2S2.I
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Chemical Name:
Benzothiazolium, 2-[2-[[5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, iodide (1:1)
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Synonyms:
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;85650-49-3
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CAS No:
Benzothiazolium, 2-[2-[[5-bromo-3-(2-carboxyethyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-ethyl-5,6-dimethyl-, iodide (1:1) Basic Attributes
671.45119
669.98203
275-034-4
Computed Properties
Molecular Weight:671.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:669.98203
Monoisotopic Mass:669.98203
Topological Polar Surface Area:98
Heavy Atom Count:34
Complexity:775
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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