5-[4,5-Dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
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![5-[4,5-Dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/9e413d70defd4e77816f0ed3d5f46e2f.png "5-[4,5-Dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid")
5-[4,5-Dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
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CAS No:
94349-41-4
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Formula:
C31H43N3O6S
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Chemical Name:
5-[4,5-Dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
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Synonyms:
Benzenesulfonic acid,5-[4,5-dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxy-;Benzenesulfonic acid,5-(5-oxo-3-palmitamido-2-pyrazolin-1-yl)-2-phenoxy-;5-[4,5-Dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
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CAS No:
5-[4,5-Dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid Basic Attributes
585.75462
585.75
305-158-7
DTXSID60241437
Computed Properties
Molecular Weight:585.8
XLogP3:8.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:19
Exact Mass:585.28725727
Monoisotopic Mass:585.28725727
Topological Polar Surface Area:134
Heavy Atom Count:41
Complexity:929
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-[4,5-Dihydro-5-oxo-3-[(1-oxohexadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulfonic acid
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