SYN

ethenylbenzene

Created:	2012-10-15
Last modified:	2021-03-01

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14 entries where SYN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of SYN

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Chemical Component Summary
Name	ethenylbenzene
Synonyms	styrene
Systematic Name (OpenEye OEToolkits)	ethenylbenzene
Formula	C₈ H₈
Molecular Weight	104.149
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C=C\c1ccccc1
SMILES	CACTVS	3.370	C=Cc1ccccc1
SMILES	OpenEye OEToolkits	1.7.6	C=Cc1ccccc1
Canonical SMILES	CACTVS	3.370	C=Cc1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	C=Cc1ccccc1
InChI	InChI	1.03	InChI=1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey	InChI	1.03	PPBRXRYQALVLMV-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7501
ChEMBL	CHEMBL285235
ChEBI	CHEBI:27452
CCDC/CSD	GUNLAC, CUVMEO
COD	2200630, 2200727

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.