3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid

Base Information

• Chemical Name: 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid
• CAS No.: 81241-67-0
• Molecular Formula: C37H31N3O11S3
• Molecular Weight: 789.85054
• European Community (EC) Number: 279-712-0
• DSSTox Substance ID: DTXSID90867886
• Nikkaji Number: J296.076A
• Mol file: 81241-67-0.mol

Synonyms:EINECS 279-712-0;81241-67-0;3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid;C37H31N3O11S3;C37-H31-N3-O11-S3;3-[[2,4-bis(2-methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulphonyl]amino]naphthalene-2,7-disulphonic acid;SCHEMBL13557212;SCHEMBL13952629;DTXSID90867886;3-[[2,4-Bis(2-methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-2,7-naphthalenedisulfonic acid;3-[[2,4-bis-(2-Methylphenoxy)phenyl]azo]-4-hydroxy-5-[[(p-tolyl)sulfonyl]amino]naphthalene-2,7-disulfonic acid;3-{[2,4-Bis(2-methylphenoxy)phenyl]diazenyl}-4-hydroxy-5-[(4-methylbenzene-1-sulfonyl)amino]naphthalene-2,7-disulfonic acid

Chemical Property of 3-((2,4-Bis(2-methylphenoxy)phenyl)azo)-4-hydroxy-5-(((p-tolyl)sulphonyl)amino)naphthalene-2,7-disulphonic acid

Chemical Property:

• Density: 1.48g/cm³
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 789.11207233
• Heavy Atom Count: 54
• Complexity: 1600

Purity/Quality:

99% ^*data from raw suppliers

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• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=C3O)N=NC4=C(C=C(C=C4)OC5=CC=CC=C5C)OC6=CC=CC=C6C)S(=O)(=O)O

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