3-ETHYL-2-[(3-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-6-METHYL-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE
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![3-ETHYL-2-[(3-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-6-METHYL-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/022c95ec484042d0845cebe1197d01b3.png "3-ETHYL-2-[(3-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-6-METHYL-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE")
3-ETHYL-2-[(3-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-6-METHYL-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE
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CAS No:
189298-36-0
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Formula:
C37H42N2O3S3
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Chemical Name:
3-ETHYL-2-[(3-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-6-METHYL-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE
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Synonyms:
CTK0H1403;DTXSID00698926;3-ETHYL-2-[(3-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-6-METHYL-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE;3-Ethyl-2-({3-[(3-ethyl-6-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-5,5-dimethylcyclohex-2-en-1-ylidene}methyl)-6-methyl-1,3-benzothiazol-3-ium 4-methylbenzene-1-sulfonate
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CAS No:
3-ETHYL-2-[(3-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-6-METHYL-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE Basic Attributes
658.94
658.236
DTXSID00698926
Computed Properties
Molecular Weight:658.9
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:658.23575673
Monoisotopic Mass:658.23575673
Topological Polar Surface Area:126
Heavy Atom Count:45
Complexity:972
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3-ETHYL-2-[(3-([3-ETHYL-6-METHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]METHYL)-5,5-DIMETHYL-2-CYCLOHEXEN-1-YLIDENE)METHYL]-6-METHYL-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE
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