Benzoxazolium, 5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt
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![Benzoxazolium, 5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/69d119f5dda94b2a8d0f9bfb72bc98f0.png "Benzoxazolium, 5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt")
Benzoxazolium, 5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt
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CAS No:
55811-26-2
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Formula:
C24H26N2O5S2
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Chemical Name:
Benzoxazolium, 5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt
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Synonyms:
Benzoxazolium,5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-,inner salt;Benzoxazolium,5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-,hydroxide,inner salt;2-[2-[(5-Methoxy-3-methyl-2-benzoxazolinylidene)methyl]-1-butenyl]-3-(3-sulfopropyl)benzothiazolium hydroxide,inner salt;Benzoxazolium,5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-butenyl]-,inner salt;Anhydro(3,3′-sulfopropyl-2-benzothiazole)(5-methoxy-3-methyl-2-benzoxazole)-β-ethyltrimethinecyanine hydroxyde;5082-08-6
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CAS No:
Benzoxazolium, 5-methoxy-3-methyl-2-[2-[[3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-1-buten-1-yl]-, inner salt Basic Attributes
486.6 g/mol
486.12831428 g/mol
259-834-0
DTXSID00204400
Computed Properties
Molecular Weight:486.6
XLogP3:5.2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:486.12831428
Monoisotopic Mass:486.12831428
Topological Polar Surface Area:119
Heavy Atom Count:33
Complexity:827
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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