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80019-35-8

80019-35-8 structural image
Product Name: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-3-[2-[5-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:4)
Formula: C29H26ClN8NaO17S5
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COMPUTED DESCRIPTORS

Molecular Weight 1041.3 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 24
Rotatable Bond Count 11
Exact Mass 1039.8907519 g/mol
Monoisotopic Mass 1039.8907519 g/mol
Topological Polar Surface Area 451 Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 2060
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