Benzoic acid, 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulfophenyl]sulfonyl]-2-hydroxy-, ammonium salt (1:1)
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Benzoic acid, 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulfophenyl]sulfonyl]-2-hydroxy-, ammonium salt (1:1)
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CAS No:
84100-44-7
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Formula:
C26H23N3O9S2.H3N
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Chemical Name:
Benzoic acid, 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulfophenyl]sulfonyl]-2-hydroxy-, ammonium salt (1:1)
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Synonyms:
Benzoic acid,5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulfophenyl]sulfonyl]-2-hydroxy-,ammonium salt (1:1);Benzoic acid,5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulfophenyl]sulfonyl]-2-hydroxy-,monoammonium salt
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CAS No:
Benzoic acid, 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulfophenyl]sulfonyl]-2-hydroxy-, ammonium salt (1:1) Basic Attributes
602.63604
602.114121 g/mol
282-123-1
Computed Properties
Molecular Weight:602.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:602.11412077
Monoisotopic Mass:602.11412077
Topological Polar Surface Area:203
Heavy Atom Count:41
Complexity:1250
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Benzoic acid, 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulfophenyl]sulfonyl]-2-hydroxy-, ammonium salt (1:1)
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