2IL

(3R)-3-(dodecanoyloxy)tetradecanoic acid

Created:	2012-07-10
Last modified:	2018-02-28

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1 entries where 2IL is found as a standalone ligand5 entries where 2IL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	80
Chiral Atom Count	1
Bond Count	79
Aromatic Bond Count	0

2D diagram of 2IL

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Chemical Component Summary
Name	(3R)-3-(dodecanoyloxy)tetradecanoic acid
Systematic Name (OpenEye OEToolkits)	(3R)-3-dodecanoyloxytetradecanoic acid
Formula	C₂₆ H₅₀ O₄
Molecular Weight	426.673
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC
SMILES	CACTVS	3.370	CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCCCCCC
SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCCCC
Canonical SMILES	CACTVS	3.370	CCCCCCCCCCC[C@H](CC(O)=O)OC(=O)CCCCCCCCCCC
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCCCCCCCCC[C@H](CC(=O)O)OC(=O)CCCCCCCCCCC
InChI	InChI	1.03	InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(23-25(27)28)30-26(29)22-20-18-16-14-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H,27,28)/t24-/m1/s1
InChIKey	InChI	1.03	IKRFTYQBIVDIMM-XMMPIXPASA-N

Related Resource References

Resource Name	Reference
PubChem	124680

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