Benzothiazolium, 2-[2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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![Benzothiazolium, 2-[2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/851dddcd5cfb4e54aa20506c25cbcd55.png "Benzothiazolium, 2-[2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt")
Benzothiazolium, 2-[2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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CAS No:
24687-35-2
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Formula:
C28H34N2O7S3Se
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Chemical Name:
Benzothiazolium, 2-[2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt
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Synonyms:
Benzothiazolium,2-[2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,inner salt;Benzothiazolium,2-[2-[[5-methoxy-3-(3-sulfopropyl)-2-benzoselenazolinylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,hydroxide,inner salt;Benzothiazolium,2-[2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-,hydroxide,inner salt;Benzoselenazole,benzothiazolium deriv.
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CAS No:
Benzothiazolium, 2-[2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzoselenazolylidene]methyl]-1-butenyl]-5,6-dimethyl-3-(3-sulfopropyl)-, inner salt Basic Attributes
686.8 g/mol
687.07716 g/mol
246-411-0
Computed Properties
Molecular Weight:685.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:11
Exact Mass:686.06934
Monoisotopic Mass:686.06934
Topological Polar Surface Area:170
Heavy Atom Count:41
Complexity:1150
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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