diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium,2,4,6-trinitrophenolate
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![diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium,2,4,6-trinitrophenolate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/fff9b56f2cf34afa94f4b1afde9ec9e6.png "diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium,2,4,6-trinitrophenolate")
diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium,2,4,6-trinitrophenolate
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CAS No:
5524-97-0
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Formula:
C35H37N9O14S
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Chemical Name:
diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium,2,4,6-trinitrophenolate
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Synonyms:
1-(2-(Diethylamino)ethyl)-2-((p-isobutylphenyl)thio)benzimidazole dipicrate; BENZIMIDAZOLE,1-(2-(DIETHYLAMINO)ETHYL)-2-((p-ISOBUTYLPHENYL)THIO)-,DIPICRATE; 3-[2-(diethylammonio)ethyl]-2-{[4-(2-methylpropyl)phenyl]sulfanyl}-1H-benzimidazol-3-ium bis(2,4,6-trinitrophenolate); diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium;
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CAS No:
diethyl-[2-[2-[4-(2-methylpropyl)phenyl]sulfanyl-3H-benzimidazol-1-ium-1-yl]ethyl]azanium,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:709
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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