Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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![Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e7e14a1a4074466090717489c52a16b3.png "Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)")
Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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CAS No:
39201-42-8
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Formula:
C25H26Cl2N2O8S2.C6H15N
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Chemical Name:
Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
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Synonyms:
Benzoxazolium,5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-,inner salt,compd. with N,N-diethylethanamine (1:1);Benzoxazolium,5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-,hydroxide,inner salt,compd. with N,N-diethylethanamine (1:1);Benzoxazolium,5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-butenyl]-3-(3-sulfopropyl)-,inner salt,compd. with N,N-diethylethanamine (1:1);Ethanamine,N,N-diethyl-,compd. with 5-chloro-2-[3-[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]-2-ethyl-1-propenyl]-3-(3-sulfopropyl)benzoxazolium hydroxide inner salt (1:1);116084-01-6;143118-05-2
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CAS No:
Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) Basic Attributes
718.71
717.17100
254-349-0
DTXSID4068165
Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) Use and Manufacturing
Benzoxazolium, 5-chloro-2-[2-[[5-chloro-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene]methyl]-1-buten-1-yl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1): ACTIVE
Computed Properties
Molecular Weight:718.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:717.1712130
Monoisotopic Mass:717.1712130
Topological Polar Surface Area:161
Heavy Atom Count:46
Complexity:1130
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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