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82944-42-1

82944-42-1 structural image
Product Name: tetrasodium 3,3'-[(1,6-dihydro-6-oxo-1,3,5-triazine-2,4-diyl)bis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis(naphthalene-1,5-disulphonate)
Formula: C39H29N9Na4O15S4
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COMPUTED DESCRIPTORS

Molecular Weight 1083.9 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 10
Exact Mass 1083.0256731 g/mol
Monoisotopic Mass 1083.0256731 g/mol
Topological Polar Surface Area 408 Ų
Heavy Atom Count 71
Formal Charge 0
Complexity 2330
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