Benzoselenazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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![Benzoselenazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220805/ba446f7c540f4c579ea22a448d9c024d.png "Benzoselenazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt")
Benzoselenazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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CAS No:
39981-05-0
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Formula:
C27H32N2O3SSe2
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Chemical Name:
Benzoselenazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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Synonyms:
Benzoselenazolium,2-[2-[(3-ethyl-5-methyl-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,inner salt;Benzoselenazolium,2-[2-[(3-ethyl-5-methyl-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,hydroxide,inner salt
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CAS No:
Benzoselenazolium, 2-[2-[(3-ethyl-5-methyl-2(3H)-benzoselenazolylidene)methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt Basic Attributes
622.53958
624.04641 g/mol
254-733-8
Computed Properties
Molecular Weight:622.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:624.04641
Monoisotopic Mass:624.04641
Topological Polar Surface Area:72.7
Heavy Atom Count:35
Complexity:889
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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