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79771-28-1

79771-28-1 structural image
Product Name: Pyridinium, 1,1'-[(6,13-dichloro-4,11-disulfo-3,10-triphenodioxazinediyl)bis[imino-2,1-ethanediylimino[6-[(2,5-disulfophenyl)amino]-1,3,5-triazine-4,2-diyl]]]bis[3-carboxy-, dihydroxide, bis(inner salt), hexasodium salt
Formula: C52H39Cl2N16NaO24S6
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COMPUTED DESCRIPTORS

Molecular Weight 1666.1 g/mol
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 38
Rotatable Bond Count 15
Exact Mass 1663.8862841 g/mol
Monoisotopic Mass 1663.8862841 g/mol
Topological Polar Surface Area 674 Ų
Heavy Atom Count 106
Formal Charge 0
Complexity 3770
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 7
Compound Is Canonicalized Yes

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