Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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![Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/23af87a5f1b94d54b62e46875dc69ee4.png "Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)")
Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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CAS No:
63450-48-6
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Formula:
C27H30Cl2N2O6S4.C6H15N
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Chemical Name:
Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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Synonyms:
Benzothiazolium,5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-,inner salt,compd. with N,N-diethylethanamine (1:1);Benzothiazolium,5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)-,hydroxide,inner salt,compd. with N,N-diethylethanamine (1:1);Benzothiazolium,5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)-,inner salt,compd. with N,N-diethylethanamine (1:1);Ethanamine,N,N-diethyl-,compd. with 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-3-(4-sulfobutyl)benzothiazolium hydroxide,inner salt (1:1)
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CAS No:
Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) Basic Attributes
778.9 g/mol
777.1568262 g/mol
DTXSID5069831
Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) Use and Manufacturing
Benzothiazolium, 5-chloro-2-[2-[[5-chloro-3-(4-sulfobutyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-3-(4-sulfobutyl)-, inner salt, compd. with N,N-diethylethanamine (1:1): ACTIVE
Computed Properties
Molecular Weight:778.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:15
Exact Mass:777.1568262
Monoisotopic Mass:777.1568262
Topological Polar Surface Area:192
Heavy Atom Count:48
Complexity:1170
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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