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SYN : Summary
Code 
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SYN
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One-letter code 
|
X
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Molecule name 
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ethenylbenzene
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Synonyms 
|
styrene
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Systematic names 
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Formula 
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C8 H8
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Formal charge 
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0
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Molecular weight 
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104.149 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
C=C\c1ccccc1 |
SMILES
|
CACTVS |
3.370 |
C=Cc1ccccc1 |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C=Cc1ccccc1 |
Canonical SMILES
|
CACTVS |
3.370 |
C=Cc1ccccc1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
C=Cc1ccccc1 |
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IUPAC InChI  | InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2 |
IUPAC InChI key  | PPBRXRYQALVLMV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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16 (8 without Hydrogen)
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Polymer type 
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Bound ligand
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Type description 
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NON-POLYMER
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Type code 
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HETAIN
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Is modified 
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No
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Standard parent 
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Not Assigned
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Defined at 
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2012-10-15
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Last modified at 
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2013-04-26
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Status 
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Released
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Obsoleted 
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Not Assigned
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