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6771-79-5

6771-79-5 structural image
Product Name: 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[[4'-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-3,3'-dimethoxy[1,1'-biphenyl]-4-yl]azo]-, trisodium salt
Formula: C40H29N6Na3O13S3
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COMPUTED DESCRIPTORS

Molecular Weight 966.9 g/mol
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 9
Exact Mass 966.06478137 g/mol
Monoisotopic Mass 966.06478137 g/mol
Topological Polar Surface Area 343 Ų
Heavy Atom Count 65
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