isomeric SMILES (P2017)
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dedicated SMILES for isomer
- iso-SMILES
| Language | Label | Description | Also known as |
|---|---|---|---|
| default for all languages | No label defined |
||
| English | isomeric SMILES |
dedicated SMILES for isomer |
|
Data type
String
Statements
http://www.simolecule.com/cdkdepict/depict/bow/svg?smi=$1&zoom=2.0&annotate=cip
image/svg+xml
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[A-Za-z0-9+\-\*=#$:().>\[\]%]*([@\\/]|\[\d)[A-Za-z0-9+\-\*=#$:().>@\\/\[\]%]+
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Constraints
Since SMILES is not an identifier and there are many ways to generate SMILES for the same structure, it is suggested to use SMILES generated in PubChem using OEChem software whenever possible. Typically, one value for this property is sufficient. If more than one value needs to be added, it is recommended that the value indicated above be marked as preferred, with the reason for this rank (P7452) indicated as 'editorial choice' (Q71535331). (English)
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[A-Za-z0-9+\-\*=#$:().>\[\]%]*([@\\/]|\[\d)[A-Za-z0-9+\-\*=#$:().>@\\/\[\]%]+
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