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:
“—E’en then would be some stooping; and I choose
Never to stoop. Oh sir, she smiled, no doubt,
Whene’er I passed her; but who passed without
Much the same smile? This grew; I gave commands;
Then all smiles stopped together. There she stands
As if alive.”
—Robert Browning (1812–1889)
“Carlyle’s humor is vigorous and titanic, and has more sense in it than the sober philosophy of many another. It is not to be disposed of by laughter and smiles merely; it gets to be too serious for that: only they may laugh who are not hit by it.”
—Henry David Thoreau (1817–1862)
“You have seen
Sunshine and rain at once; her smiles and tears
Were like a better way: those happy smilets
That played on her ripe lip seemed not to know
What guests were in her eyes, which parted thence
As pearls from diamonds dropped.”
—William Shakespeare (1564–1616)