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6598-62-5

6598-62-5 structural image
Product Name: trisodium 4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]-5,5'-dimethyl-4'-[[4-[[(4-methylphenyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-2,2'-disulphonate
Formula: C37H27N4Na3O13S4
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COMPUTED DESCRIPTORS

Molecular Weight 932.9 g/mol
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 17
Rotatable Bond Count 8
Exact Mass 932.01505447 g/mol
Monoisotopic Mass 932.01505447 g/mol
Topological Polar Surface Area 318 Ų
Heavy Atom Count 61
Formal Charge 0
Complexity 1870
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 4
Compound Is Canonicalized Yes