BENZOTHIAZOLIUM, 2-[2-[2-(DIPHENYLAMINO)-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1)
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![BENZOTHIAZOLIUM, 2-[2-[2-(DIPHENYLAMINO)-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ed17f82dafc346a483603828049fbed1.png "BENZOTHIAZOLIUM, 2-[2-[2-(DIPHENYLAMINO)-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1)")
BENZOTHIAZOLIUM, 2-[2-[2-(DIPHENYLAMINO)-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1)
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CAS No:
185840-01-1
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Formula:
C47H54N4O6S4
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Chemical Name:
BENZOTHIAZOLIUM, 2-[2-[2-(DIPHENYLAMINO)-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1)
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Synonyms:
185840-01-1;BENZOTHIAZOLIUM, 2-[2-[2-(DIPHENYLAMINO)-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1)
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CAS No:
BENZOTHIAZOLIUM, 2-[2-[2-(DIPHENYLAMINO)-3-[[3-(3-SULFOPROPYL)-2(3H)-BENZOTHIAZOLYLIDENE]ETHYLIDENE]-1-CYCLOPENTEN-1-YL]ETHENYL]-3-(3-SULFOPROPYL)-, INNER SALT, N,N-DIETHYLETHANAMINE (1:1) Basic Attributes
899.21
898.293
Computed Properties
Molecular Weight:899.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:16
Exact Mass:898.29262015
Monoisotopic Mass:898.29262015
Topological Polar Surface Area:196
Heavy Atom Count:61
Complexity:1620
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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