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  2. Structural formula - Wikipedia

    en.wikipedia.org/wiki/Structural_formula

    Skeletal structural formula of Vitamin B 12.Many organic molecules are too complicated to be specified by a molecular formula.. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are possibly arranged in the real three-dimensional space.

  3. Skeletal formula - Wikipedia

    en.wikipedia.org/wiki/Skeletal_formula

    The skeletal formula of the antidepressant drug escitalopram, featuring skeletal representations of heteroatoms, a triple bond, phenyl groups and stereochemistry. The skeletal formula, line-angle formula, bond-line formula or shorthand formula of an organic compound is a type of molecular structural formula that serves as a shorthand representation of a molecule's bonding and some details of ...

  4. Jemmis mno rules - Wikipedia

    en.wikipedia.org/wiki/Jemmis_mno_rules

    In chemistry, the Jemmis mno rules represent a unified rule for predicting and systematizing structures of compounds, usually clusters.The rules involve electron counting. They were formulated by E. D. Jemmis to explain the structures of condensed polyhedral boranes such as B 20 H 16, which are obtained by condensing polyhedral boranes by sharing a triangular face, an edge, a single vertex, or ...

  5. 3,3-Dimethylpentane - Wikipedia

    en.wikipedia.org/wiki/3,3-Dimethylpentane

    In 1929 Graham Edgar and George Calingaert made 3,3-dimethylpentane and measured its physical characteristics for the first time. The measurements were at 20 °C, not the standard conditions used in later times.

  6. Simplified Molecular Input Line Entry System - Wikipedia

    en.wikipedia.org/wiki/Simplified_Molecular_Input...

    The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.

  7. Space-filling model - Wikipedia

    en.wikipedia.org/wiki/Space-filling_model

    A space-filling model of n-octane, the straight chain (normal) hydrocarbon composed of 8 carbons and 18 hydrogens, formulae: CH 3 CH 2 (CH 2) 4 CH 2 CH 3 or C 8 H 18.Note, the representative shown is of a single conformational "pose" of a population of molecules, which, because of low Gibbs energy barriers to rotation about its carbon-carbon bonds (giving the carbon "chain" great flexibility ...

  8. Molecular graph - Wikipedia

    en.wikipedia.org/wiki/Molecular_graph

    Molecular structure of caffeine. Methyl groups are implied, but not visualized.. In chemical graph theory and in mathematical chemistry, a molecular graph or chemical graph is a representation of the structural formula of a chemical compound in terms of graph theory.

  9. Structural isomer - Wikipedia

    en.wikipedia.org/wiki/Structural_isomer

    A skeletal isomer of a compound is a structural isomer that differs from it in the atoms and bonds that are considered to comprise the "skeleton" of the molecule. For organic compounds , such as alkanes , that usually means the carbon atoms and the bonds between them.