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3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate
3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate
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![3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/863b340389b24446bb6668eb0e143385.png "3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate")
3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate
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CAS No:
23735-20-8
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Formula:
C23H27NO6S
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Chemical Name:
3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate
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CAS No:
3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate Basic Attributes
445.52900
445.15590875
Computed Properties
Molecular Weight:445.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:445.15590875
Monoisotopic Mass:445.15590875
Topological Polar Surface Area:124
Heavy Atom Count:31
Complexity:612
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 3-(5,5-Dioxido-6,11-dihydrodibenzo[b,e]thiepin-11-yl)-N,N-dimethy l-1-propanaminium (2E)-3-carboxyacrylate
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