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20328-87-4

20328-87-4 structural image
Product Name: 2,2'-[(2-carboxy-p-phenylene)bis(iminovinylene)]bis[3-ethyl-4,5-dihydrothiazolium] diiodide
Formula: C21H28I2N4O2S2
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COMPUTED DESCRIPTORS

Molecular Weight 686.4 g/mol
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 9
Exact Mass 685.97431 g/mol
Monoisotopic Mass 685.97431 g/mol
Topological Polar Surface Area 118 Ų
Heavy Atom Count 31
Formal Charge 0
Complexity 718
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 2
Covalently-Bonded Unit Count 3
Compound Is Canonicalized Yes