Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt
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![Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2220d2802bb04817a10a5e6f5f30dd66.png "Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt")
Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt
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CAS No:
67326-80-1
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Formula:
C31H31ClN2O8S2.Na
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Chemical Name:
Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt
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Synonyms:
Benzoxazolium,5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-,inner salt,sodium salt;Benzoxazolium,5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-,hydroxide,inner salt,sodium salt;134200-47-8;93446-54-9;94533-67-2
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CAS No:
Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt Basic Attributes
681.15
680.10300
266-643-6
Computed Properties
Molecular Weight:683.2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:682.1186303
Monoisotopic Mass:682.1186303
Topological Polar Surface Area:161
Heavy Atom Count:45
Complexity:1330
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Benzoxazolium, 5-chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-, inner salt, sodium salt
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