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There is a subsection in March’s Advanced Organic Chemistry [1, pp. 450–451] that provides a straightforward definition and a couple of examples: 10.G.viii. Ambident Substrates Some substrates (e.g., 1,3-dichlorobutane) can be attacked at two or more positions, and these may be called ambident substrates. In the example given, there happen to be two leaving ...


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SMILES doesn't define a particular order in which the atoms show up in the string. Hence the position in the molecule where software starts printing will determine the string. E.g. for CO2: Ketcher prints C(=O)=O (starts with C and considers one of the O's a branch) MarvinJS prints O=C=O (starts iteration with O, hence no branching) Both of these ...


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I agreed with andselisk's answer. Yet, Ambident Substrates are not limited to March’s given examples in that answer. A substrate, which can be consecutively acted either as an electrophile of a nucleophile is also called ambident substrate (Ref.1). One of the best example is acetaldehyde or propanaldehyde in aldol condensation: In 2002, Barbas III & ...


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It is a good question and many comprehensive works are available specifically on chemical etymologies. Many scholars have spent on portion of their life on chemical etymologies. Ignore these useless down votes or close votes. The answer essentially boils down to how money are you willing to spend? I would say, if you are really keen, go for OED. After going ...


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Rdkit, which is widely used in cheminformatics, can generate a list of valid smiles strings for a given molecule. That sounds like exactly what you are looking for. More info found here: https://iwatobipen.wordpress.com/2018/11/15/generate-possible-list-of-smlies-with-rdkit-rdkit/


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The difference between a monomer and a protomer depends on the associations of the molecule and its 3D structure. A monomer is the isolated unit molecular component (i.e. free or soluble form) of a potential oligomer or polymer. A protomer is the molecule after a conformational change into the shape it takes when incorporated as part of that oligomer or ...


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