Benzoxazolium, 3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-5-phenyl-, inner salt
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![Benzoxazolium, 3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-5-phenyl-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/59446141bae2460c833be6175daa65d6.png "Benzoxazolium, 3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-5-phenyl-, inner salt")
Benzoxazolium, 3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-5-phenyl-, inner salt
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CAS No:
35574-16-4
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Formula:
C29H28N2O4S2
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Chemical Name:
Benzoxazolium, 3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-5-phenyl-, inner salt
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Synonyms:
Benzoxazolium,3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-5-phenyl-,inner salt;Benzoxazolium,3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propenyl]-5-phenyl-,hydroxide,inner salt;2-[3-(3-Ethyl-5-phenyl-2-benzoxazolinylidene)-2-methylpropenyl]-3-(3-sulfopropyl)benzothiazolium hydroxide,inner salt;Benzoxazolium,3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propenyl]-5-phenyl-,inner salt;5082-13-3
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CAS No:
Benzoxazolium, 3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-5-phenyl-, inner salt Basic Attributes
532.67362
532.14905 g/mol
252-625-5
DTXSID80189049
Computed Properties
Molecular Weight:532.7
XLogP3:6.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:532.14904973
Monoisotopic Mass:532.14904973
Topological Polar Surface Area:110
Heavy Atom Count:37
Complexity:927
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoxazolium, 3-ethyl-2-[2-methyl-3-[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]-1-propen-1-yl]-5-phenyl-, inner salt
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