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155998-77-9

155998-77-9 structural image
Product Name: 4-[(E)-2-(2-CHLORO-3-((E)-2-[1-ETHYL-4(1H)-QUINOLINYLIDENE]ETHYLIDENE)-1-CYCLOHEXEN-1-YL)ETHENYL]-1-ETHYLQUINOLINIUM 4-METHYLBENZENESULFONATE
Formula: C39H39ClN2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 651.3 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 650.2369920 g/mol
Monoisotopic Mass 650.2369920 g/mol
Topological Polar Surface Area 72.7 Ų
Heavy Atom Count 46
Formal Charge 0
Complexity 1020
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 3
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes