2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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CAS No:
69415-12-9
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Formula:
C29H30ClIN2S2
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Chemical Name:
2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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Synonyms:
DTXSID50698330;AKOS000814172;2-(2-{2-Chloro-3-[2-(3-ethyl-1,3-benzothiazol-2(3H)-ylidene)ethylidene]-5-methylcyclohex-1-en-1-yl}ethenyl)-3-ethyl-1,3-benzothiazol-3-ium iodide;2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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CAS No:
2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE Basic Attributes
633.05
632.058
DTXSID50698330
Computed Properties
Molecular Weight:633.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:632.05837
Monoisotopic Mass:632.05837
Topological Polar Surface Area:60.7
Heavy Atom Count:35
Complexity:798
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-5-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-3-ETHYL-1,3-BENZOTHIAZOL-3-IUM IODIDE
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