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85586-40-9

85586-40-9 structural image
Product Name: 5-(benzoylamino)-4-hydroxy-3-[[1-sulpho-6-[[2-(sulphooxy)ethyl]sulphonyl]-2-naphthyl]azo]naphthalene-2,7-disulphonic acid, sodium salt
Formula: C29H19N3Na4O17S5
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COMPUTED DESCRIPTORS

Molecular Weight 933.8 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 8
Exact Mass 932.8908791 g/mol
Monoisotopic Mass 932.8908791 g/mol
Topological Polar Surface Area 388 Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1890
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 5
Compound Is Canonicalized Yes