I7L

2-naphthalen-2-ylethanoic acid

Created:	2022-02-17
Last modified:	2022-08-22

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1 entries where I7L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	25
Aromatic Bond Count	11

2D diagram of I7L

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Chemical Component Summary
Name	2-naphthalen-2-ylethanoic acid
Systematic Name (OpenEye OEToolkits)	2-naphthalen-2-ylethanoic acid
Formula	C₁₂ H₁₀ O₂
Molecular Weight	186.207
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)Cc1ccc2ccccc2c1
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cc(ccc2c1)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)Cc1ccc2ccccc2c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2cc(ccc2c1)CC(=O)O
InChI	InChI	1.06	InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
InChIKey	InChI	1.06	VIBOGIYPPWLDTI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	11393
ChEMBL	CHEMBL948
ChEBI	CHEBI:37837
CCDC/CSD	PEYGEF01, AHATIM, PEYGEF, PEYGEF02

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.