3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-5-METHOXY-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-5-METHOXY-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE
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![3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-5-METHOXY-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-5-METHOXY-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6643267112fe45978621b49de30953dd.png "3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-5-METHOXY-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-5-METHOXY-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE")
3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-5-METHOXY-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-5-METHOXY-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE
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CAS No:
328063-95-2
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Formula:
C36H38N2O6S3
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Chemical Name:
3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-5-METHOXY-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-5-METHOXY-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE
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Synonyms:
3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-5-METHOXY-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-5-METHOXY-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE;BENZOTHIAZOLIUM, 3-ETHYL-2-[2-[5-[(3-ETHYL-5-METHOXY-2(3H)-BENZOTHIAZOLYLIDENE)ETHYLIDENE]-5,6-DIHYDRO-2H-PYRAN-3-YL]ETHENYL]-5-METHOXY-, SALT WITH 4-METHYLBENZENESULFONIC ACID (1:1)
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CAS No:
3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-5-METHOXY-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-5-METHOXY-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE Basic Attributes
690.89
690.18920046
DTXSID40698920
Computed Properties
Molecular Weight:690.9
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:690.18920046
Monoisotopic Mass:690.18920046
Topological Polar Surface Area:154
Heavy Atom Count:47
Complexity:1020
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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3-ETHYL-2-((E)-2-[5-((Z)-2-[3-ETHYL-5-METHOXY-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2H-PYRAN-3(6H)-YL]ETHENYL)-5-METHOXY-1,3-BENZOTHIAZOL-3-IUM 4-METHYLBENZENESULFONATE
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