Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-
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![Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a01c1f2dc3c249dcb55821cf48d94c8c.png "Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-")
Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-
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CAS No:
126005-91-2
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Formula:
C43H65NO4
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Chemical Name:
Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)-
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Synonyms:
Octadecanoic acid,1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester,(E)-;Acidissimin;Acidissiminin;Acidissiminine
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CAS No:
Octadecanoic acid, 1-[3-[4-[2-(benzoylamino)ethyl]phenoxy]-1-methyl-1-propenyl]-4-methyl-3-pentenyl ester, (E)- Basic Attributes
659.98000
659.98
Characteristics
68.12000
12.08860
0.988g/cm3
65 °C
758.8ºC
412.7ºC
1.518
1.194e-011 mg/L @ 25 °C (est)
6.43E-23mmHg at 25°C
Computed Properties
Molecular Weight:660.0
XLogP3:14.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:28
Exact Mass:659.49135955
Monoisotopic Mass:659.49135955
Topological Polar Surface Area:64.6
Heavy Atom Count:48
Complexity:877
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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