Skip to main content

Table 1 WLN symbol definitions and their corresponding properties

From: Zombie cheminformatics: extraction and conversion of Wiswesser Line Notation (WLN) from chemical documents

WLN symbol

Meaning

Allowed branches

Terminating

Locant

A

Locant Only

0

 

\(\checkmark\)

B

Boron

3

 

\(\checkmark\)

C

Carbon

4 exactly

 

\(\checkmark\)

D

Open Chelate

0

 

\(\checkmark\)

E

Bromine

1

\(\checkmark\)

\(\checkmark\)

F

Fluorine

1

\(\checkmark\)

\(\checkmark\)

G

Chlorine

1

\(\checkmark\)

\(\checkmark\)

H

Hydrogen

1

\(\checkmark\)

\(\checkmark\)

I

Iodine

1

\(\checkmark\)

\(\checkmark\)

J

Ring Closure

0

 

\(\checkmark\)

K

Nitrogen (1+ charge, with 4 implied methyls)

4

 

\(\checkmark\)

L

Open Carbocycle

0

 

\(\checkmark\)

M

Secondary Amine (NH)

2

 

\(\checkmark\)

N

Nitrogen

3

 

\(\checkmark\)

O

Oxygen

2

 

\(\checkmark\)

P

Phosphorous

3

 

\(\checkmark\)

Q

Hydroxyl

1

\(\checkmark\)

\(\checkmark\)

R

Benzene

1 (expandable)

 

\(\checkmark\)

S

Sulphur

3

 

\(\checkmark\)

T

Open Heterocycle

0

 

\(\checkmark\)

U

Unsaturate bond

0

 

\(\checkmark\)

V

Carbonyl

2

 

\(\checkmark\)

W

Add -oxylate

0

 

\(\checkmark\)

X

Carbon (4 implied methyls)

4

  

Y

Carbon (3 implied methyls)

3

  

Z

Primary Amine (NH2)

0

\(\checkmark\)

 

0..9

Alkane chain of length n

0

  

&

Punctuation

   

-

Punctuation

   

Space

Punctuation

   

/

Punctuation

  Â