2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium,2,4,6-trinitrophenolate
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![2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium,2,4,6-trinitrophenolate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/94f557ac1d0740a3a3b435ee21ac6212.png "2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium,2,4,6-trinitrophenolate")
2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium,2,4,6-trinitrophenolate
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CAS No:
5524-98-1
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Formula:
C35H37N9O14S
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Chemical Name:
2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium,2,4,6-trinitrophenolate
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Synonyms:
BENZIMIDAZOLE,2-((p-sec-BUTYLPHENYL)THIO)-1-(2-(DIETHYLAMINO)ETHYL)-,DIPICRATE; 2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium; 2-((p-sec-Butylphenyl)thio)-1-(2-(diethylamino)ethyl)benzimidazole dipicrate;
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CAS No:
2-[2-(4-butan-2-ylphenyl)sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl-diethylazanium,2,4,6-trinitrophenolate Basic Attributes
839.78500
839.21806806 g/mol
Computed Properties
Molecular Weight:839.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:9
Exact Mass:839.21806806
Monoisotopic Mass:839.21806806
Topological Polar Surface Area:370
Heavy Atom Count:59
Complexity:711
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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