Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-, iodide (1:1)
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![Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-, iodide (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1d6cbf6d583e4e12937de84809c05c17.png "Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-, iodide (1:1)")
Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-, iodide (1:1)
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CAS No:
94158-25-5
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Formula:
C25H23Cl2N2O4S2.I
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Chemical Name:
Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-, iodide (1:1)
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Synonyms:
Benzothiazolium,3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-,iodide (1:1);Benzothiazolium,3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-5-chloro-,iodide
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CAS No:
Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[[3-(2-carboxyethyl)-5-chloro-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-5-chloro-, iodide (1:1) Basic Attributes
677.40159
675.9521
303-096-5
Computed Properties
Molecular Weight:677.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:675.95210
Monoisotopic Mass:675.95210
Topological Polar Surface Area:135
Heavy Atom Count:36
Complexity:792
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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