Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
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![Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/75524375c73d4afa9963b927a61f3e49.png "Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt")
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
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CAS No:
40703-12-6
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Formula:
C25H27Cl2N3O4S
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Chemical Name:
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
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Synonyms:
Benzoxazolium,2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-,inner salt;Benzoxazolium,2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-,hydroxide,inner salt;Benzoxazolium,2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-,inner salt;2-[3-[5,6-Dichloro-1-ethyl-1,3-dihydro-3-(3-sulfonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium
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CAS No:
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt Basic Attributes
536.47058
535.1099329
255-046-6
Computed Properties
Molecular Weight:536.5
XLogP3:6.2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:535.1099329
Monoisotopic Mass:535.1099329
Topological Polar Surface Area:89.1
Heavy Atom Count:35
Complexity:882
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulfobutyl)-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
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