JUS

2-(2-CYANOPHENOXY)-5-HEXYLPHENOL

Created:	2013-05-15
Last modified:	2014-04-29

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2 entries where JUS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	12

2D diagram of JUS

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Chemical Component Summary
Name	2-(2-CYANOPHENOXY)-5-HEXYLPHENOL
Systematic Name (OpenEye OEToolkits)	2-(4-hexyl-2-oxidanyl-phenoxy)benzenecarbonitrile
Formula	C₁₉ H₂₁ N O₂
Molecular Weight	295.376
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	N#Cc2c(Oc1ccc(cc1O)CCCCCC)cccc2
SMILES	CACTVS	3.370	CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N
Canonical SMILES	CACTVS	3.370	CCCCCCc1ccc(Oc2ccccc2C#N)c(O)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCc1ccc(c(c1)O)Oc2ccccc2C#N
InChI	InChI	1.03	InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3
InChIKey	InChI	1.03	RPZKERMNVCALKE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	71464709
ChEMBL	CHEMBL3360252

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