Benzoxazolium, 3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt
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![Benzoxazolium, 3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/3f87d72077d64e76b5b7b9ba6ce4636f.png "Benzoxazolium, 3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt")
Benzoxazolium, 3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt
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CAS No:
5529-89-5
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Formula:
C30H30N2O4S2
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Chemical Name:
Benzoxazolium, 3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt
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Synonyms:
Benzoxazolium,3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-,inner salt;Benzothiazolium,2-[2-[(3-ethyl-5-phenyl-2-benzoxazolinylidene)methyl]-1-butenyl]-3-(3-sulfopropyl)-,hydroxide,inner salt;Benzoxazolium,3-ethyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-5-phenyl-,hydroxide,inner salt;2-[2-[(3-Ethyl-5-phenyl-2-benzoxazolinylidene)methyl]-1-butenyl]-3-(3-sulfopropyl)benzothiazolium hydroxide,inner salt;Benzoxazolium,3-ethyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-5-phenyl-,inner salt;Anhydro(3,3′-sulfopropyl-2-benzothiazole)(3-ethyl-5-phenyl-2-benzoxazole)-β-ethyltrimethinecyanine hydroxide;58346-01-3
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CAS No:
Benzoxazolium, 3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt Basic Attributes
546.7002
547.172525
226-877-1
DTXSID20203793
Computed Properties
Molecular Weight:547.7
XLogP3:7.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:547.17252482
Monoisotopic Mass:547.17252482
Topological Polar Surface Area:111
Heavy Atom Count:38
Formal Charge:1
Complexity:943
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Benzoxazolium, 3-ethyl-5-phenyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt
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