RN1

(2R)-3-(naphthalen-1-yloxy)propane-1,2-diol

Created:	2013-01-24
Last modified:	2014-02-12

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1 entries where RN1 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	30
Chiral Atom Count	1
Bond Count	31
Aromatic Bond Count	11

2D diagram of RN1

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Chemical Component Summary
Name	(2R)-3-(naphthalen-1-yloxy)propane-1,2-diol
Systematic Name (OpenEye OEToolkits)	(2R)-3-naphthalen-1-yloxypropane-1,2-diol
Formula	C₁₃ H₁₄ O₃
Molecular Weight	218.248
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OCC(O)COc2cccc1ccccc12
SMILES	CACTVS	3.370	OC[CH](O)COc1cccc2ccccc12
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)cccc2OCC(CO)O
Canonical SMILES	CACTVS	3.370	OC[C@@H](O)COc1cccc2ccccc12
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)cccc2OC[C@@H](CO)O
InChI	InChI	1.03	InChI=1S/C13H14O3/c14-8-11(15)9-16-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,14-15H,8-9H2/t11-/m1/s1
InChIKey	InChI	1.03	BYNNMWGWFIGTIC-LLVKDONJSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1514070
PubChem	6604764
ChEMBL	CHEMBL1514070
CCDC/CSD	CEXWEJ, CEXWIN

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