Benzoxazolium, 2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)
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![Benzoxazolium, 2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/aea9d155b9c7425fbbcda51538d3c457.png "Benzoxazolium, 2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)")
Benzoxazolium, 2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)
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CAS No:
84434-32-2
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Formula:
C28H26Cl2N3O2.C7H7O3S
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Chemical Name:
Benzoxazolium, 2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, 4-methylbenzenesulfonate (1:1)
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Synonyms:
Benzoxazolium,2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-,4-methylbenzenesulfonate (1:1);Benzoxazolium,2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]-1-propenyl]-3-ethyl-5-phenyl-,salt with 4-methylbenzenesulfonic acid (1:1)
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CAS No:
Benzoxazolium, 2-[3-[5,6-dichloro-1,3-dihydro-1-(2-hydroxyethyl)-3-methyl-2H-benzimidazol-2-ylidene]-1-propen-1-yl]-3-ethyl-5-phenyl-, 4-methylbenzenesulfonate (1:1) Basic Attributes
678.62462
678.159623
282-830-5
Computed Properties
Molecular Weight:679.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:678.1596228
Monoisotopic Mass:678.1596228
Topological Polar Surface Area:107
Heavy Atom Count:46
Formal Charge:1
Complexity:980
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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