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53533-50-9

53533-50-9 structural image
Product Name: 3,3'-DIOCTADECYLTHIACARBOCYANINE PERCHLORATE
Formula: C53H85ClN2O4S2
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COMPUTED DESCRIPTORS

Molecular Weight 913.8 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 36
Exact Mass 912.5639292 g/mol
Monoisotopic Mass 912.5639292 g/mol
Topological Polar Surface Area 135 Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 2
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes