SMILES
The Simplified Molecular Input Line Entry Specification (SMILES) is a line notation for molecules. SMILES strings include connectivity but do not include 2D or 3D coordinates.
Hydrogen atoms are not represented. Other atoms are represented by their element symbols B, C, N, O, F, P, S, Cl, Br, and I. The symbol "=" represents double bonds and "#" represents triple bonds. Branching is indicated by . Rings are indicated by pairs of digits.
Some examples are
| Name | Formula | SMILES String |
|---|---|---|
| Methane | CH4 | C |
| Ethanol | C2H6O | CCO |
| Benzene | C6H6 | C1=CC=CC=C1 or c1ccccc1 |
| Ethylene | C2H4 | C=C |
Read more about this topic: Chemical File Format
Famous quotes containing the word smiles:
“It is alive, venomous
it smiles grimly
its words cut—”
—William Carlos Williams (1883–1963)
“I live for those who love me,
Whose hearts are kind and true;
For the Heaven that smiles above me,
And awaits my spirit too;
For all human ties that bind me,
For the task by God assigned me,
For the bright hopes yet to find me,
And the good that I can do.”
—George Linnaeus Banks (1821–1881)
“Old photograph: amid the set poses of her family, a young girl smiles and raises her hand a little.”
—Mason Cooley (b. 1927)