LNG

Delta-3isotetradecenoic acid

Created:	2004-07-16
Last modified:	2024-09-27

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1 entries where LNG is found as a standalone ligand1 entries where LNG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	0

2D diagram of LNG

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Chemical Component Summary
Name	Delta-3isotetradecenoic acid
Systematic Name (OpenEye OEToolkits)	(Z)-12-methyltridec-3-enoic acid
Formula	C₁₄ H₂₆ O₂
Molecular Weight	226.355
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	11.02	O=C(O)C\C=C/CCCCCCCC(C)C
SMILES	CACTVS	3.352	CC(C)CCCCCCCC=CCC(O)=O
SMILES	OpenEye OEToolkits	1.7.0	CC(C)CCCCCCCC=CCC(=O)O
Canonical SMILES	CACTVS	3.352	CC(C)CCCCCCC\C=C/CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC(C)CCCCCCC/C=C\CC(=O)O
InChI	InChI	1.03	InChI=1S/C14H26O2/c1-13(2)11-9-7-5-3-4-6-8-10-12-14(15)16/h8,10,13H,3-7,9,11-12H2,1-2H3,(H,15,16)/b10-8-
InChIKey	InChI	1.03	CPJZLQGGCFWOAA-NTMALXAHSA-N

Related Resource References

Resource Name	Reference
PubChem	137349698

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