2-amino-3-methyl-5-[[4-[(4-sulfophenyl)amino]phenyl]-[4-(4-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonicacid
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![2-amino-3-methyl-5-[[4-[(4-sulfophenyl)amino]phenyl]-[4-(4-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonicacid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a93f2712c01343be8b374bfc7289d669.png "2-amino-3-methyl-5-[[4-[(4-sulfophenyl)amino]phenyl]-[4-(4-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonicacid")
2-amino-3-methyl-5-[[4-[(4-sulfophenyl)amino]phenyl]-[4-(4-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonicacid
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CAS No:
7597-19-5
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Formula:
C32H27N3O9S3
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Chemical Name:
2-amino-3-methyl-5-[[4-[(4-sulfophenyl)amino]phenyl]-[4-(4-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonicacid
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Synonyms:
Acid Blue 22 free acid;UNII-5ES434GE9P;5ES434GE9P;CHEMBL1092085;NSC 56820;NSC-56820;7597-19-5;water blue (acid form);CHEBI:86247;CTK5E2273
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CAS No:
2-amino-3-methyl-5-[[4-[(4-sulfophenyl)amino]phenyl]-[4-(4-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonicacid Basic Attributes
693.8
693.090943
DTXSID60274245
Computed Properties
Molecular Weight:693.8
XLogP3:4.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:693.09094297
Monoisotopic Mass:693.09094297
Topological Polar Surface Area:243
Heavy Atom Count:47
Complexity:1530
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
2-amino-3-methyl-5-[[4-[(4-sulfophenyl)amino]phenyl]-[4-(4-sulfophenyl)imino-1-cyclohexa-2,5-dienylidene]methyl]benzenesulfonicacid
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