Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-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-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c94d519ef6c24a129cb328fce50f1776.png "Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt")
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
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CAS No:
84100-63-0
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Formula:
C24H24Cl2N4O4S
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Chemical Name:
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-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-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-,inner salt;Benzoxazolium,2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-,hydroxide,inner salt;Benzoxazolium,2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-,inner salt
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CAS No:
Benzoxazolium, 2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt Basic Attributes
580.4602
578.0793611
282-144-6
Computed Properties
Molecular Weight:579.5
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:578.0793611
Monoisotopic Mass:578.0793611
Topological Polar Surface Area:131
Heavy Atom Count:38
Complexity:1130
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:3
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-[2-[(methylsulfonyl)amino]-2-oxoethyl]-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-, inner salt
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