SEZ

1,3,5-trimethylbenzene

Created:	2020-11-13
Last modified:	2024-09-27

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Chemical Details
Formal Charge	0
Atom Count	21
Chiral Atom Count	0
Bond Count	21
Aromatic Bond Count	6

2D diagram of SEZ

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Chemical Component Summary
Name	1,3,5-trimethylbenzene
Synonyms	mesitylene
Systematic Name (OpenEye OEToolkits)	1,3,5-trimethylbenzene
Formula	C₉ H₁₂
Molecular Weight	120.192
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(C)cc(C)c1
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)C)C
Canonical SMILES	CACTVS	3.385	Cc1cc(C)cc(C)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1)C)C
InChI	InChI	1.03	InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3
InChIKey	InChI	1.03	AUHZEENZYGFFBQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	7947
ChEMBL	CHEMBL1797281
ChEBI	CHEBI:34833
CCDC/CSD	DICFUR, ERASOH, CUPJUS, ELIWUR, DEXLOH, EWUTIB, BONZUZ, AYEBEL, DIRVUW, ATEHOZ, AKUBUG

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.