W2L

(4~{S},6~{S})-4,6-dimethyloctanoic acid

Created:	2022-07-05
Last modified:	2023-07-12

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1 entries where W2L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	31
Aromatic Bond Count	0

2D diagram of W2L

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Chemical Component Summary
Name	(4~{S},6~{S})-4,6-dimethyloctanoic acid
Systematic Name (OpenEye OEToolkits)	(4~{S},6~{S})-4,6-dimethyloctanoic acid
Formula	C₁₀ H₂₀ O₂
Molecular Weight	172.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](C)C[CH](C)CCC(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCC(C)CC(C)CCC(=O)O
Canonical SMILES	CACTVS	3.385	CC[C@H](C)C[C@@H](C)CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC[C@H](C)C[C@@H](C)CCC(=O)O
InChI	InChI	1.06	InChI=1S/C10H20O2/c1-4-8(2)7-9(3)5-6-10(11)12/h8-9H,4-7H2,1-3H3,(H,11,12)/t8-,9-/m0/s1
InChIKey	InChI	1.06	LMFRDZYWEWGVPW-IUCAKERBSA-N

Related Resource References

Resource Name	Reference
PubChem	168376971

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