2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOPENTEN-1-YL)ETHENYL]-3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-3-IUM IODIDE
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2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOPENTEN-1-YL)ETHENYL]-3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-3-IUM IODIDE
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CAS No:
121556-56-7
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Formula:
C39H34ClIN2O2
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Chemical Name:
2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOPENTEN-1-YL)ETHENYL]-3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-3-IUM IODIDE
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Synonyms:
Benzoxazolium,2-[2-[2-chloro-3-[2-(3-ethyl-5-phenyl-2(3H)-benzoxazolylidene)ethylidene]-1-cyclopenten-1-yl]ethenyl]-3-ethyl-5-phenyl-,iodide (1:1);ACMC-20mpjr;CTK4B2522;DTXSID10698331;2-(2-{2-Chloro-3-[2-(3-ethyl-5-phenyl-1,3-benzoxazol-2(3H)-ylidene)ethylidene]cyclopent-1-en-1-yl}ethenyl)-3-ethyl-5-phenyl-1,3-benzoxazol-3-ium iodide
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CAS No:
2-[(E)-2-(2-CHLORO-3-((E)-2-[3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOPENTEN-1-YL)ETHENYL]-3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-3-IUM IODIDE Basic Attributes
725.06
724.135
DTXSID10698331
Computed Properties
Molecular Weight:725.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:724.13535
Monoisotopic Mass:724.13535
Topological Polar Surface Area:29.5
Heavy Atom Count:45
Complexity:1030
Undefined 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-5-PHENYL-1,3-BENZOXAZOL-2(3H)-YLIDENE]ETHYLIDENE)-1-CYCLOPENTEN-1-YL)ETHENYL]-3-ETHYL-5-PHENYL-1,3-BENZOXAZOL-3-IUM IODIDE
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