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70446-37-6

70446-37-6 structural image
Product Name: 3-ETHYL-2-[(E)-2-(3-((E)-2-[3-ETHYL-1,3-BENZOTHIAZOL-2(3H)-YLIDENE]ETHYLIDENE)-2-METHYL-1-CYCLOHEXEN-1-YL)ETHENYL]-1,3-BENZOTHIAZOL-3-IUM IODIDE
Formula: C29H31IN2S2
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COMPUTED DESCRIPTORS

Molecular Weight 598.6 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 598.09734 g/mol
Monoisotopic Mass 598.09734 g/mol
Topological Polar Surface Area 60.7 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 763
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