Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methyl-, iodide (1:1)
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![Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methyl-, iodide (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/910594a0a9354e628ee2db08d1a0a538.png "Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methyl-, iodide (1:1)")
Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methyl-, iodide (1:1)
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CAS No:
37422-04-1
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Formula:
C26H29N2O2S2.I
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Chemical Name:
Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methyl-, iodide (1:1)
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Synonyms:
Benzothiazolium,3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methyl-,iodide (1:1);Benzothiazolium,3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5-methyl-,iodide;24687-30-7
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CAS No:
Benzothiazolium, 3-(2-carboxyethyl)-2-[2-[(3-ethyl-5-methyl-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methyl-, iodide (1:1) Basic Attributes
592.55513
592.07152
253-503-4
Computed Properties
Molecular Weight:592.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:592.07152
Monoisotopic Mass:592.07152
Topological Polar Surface Area:98
Heavy Atom Count:33
Complexity:739
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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