WU8

3-dodecylsulfanyl-2,2-dimethyl-propanoic acid

Created:	2023-10-13
Last modified:	2024-10-23

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2 entries where WU8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	54
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	0

2D diagram of WU8

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Chemical Component Summary
Name	3-dodecylsulfanyl-2,2-dimethyl-propanoic acid
Systematic Name (OpenEye OEToolkits)	3-dodecylsulfanyl-2,2-dimethyl-propanoic acid
Formula	C₁₇ H₃₄ O₂ S
Molecular Weight	302.516
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCCCCCCCCCCCSCC(C)(C)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCCCCSCC(C)(C)C(=O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCCCCCSCC(C)(C)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCCCCCCCCCCSCC(C)(C)C(=O)O
InChI	InChI	1.06	InChI=1S/C17H34O2S/c1-4-5-6-7-8-9-10-11-12-13-14-20-15-17(2,3)16(18)19/h4-15H2,1-3H3,(H,18,19)
InChIKey	InChI	1.06	CBYMTUKZNNXAOB-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.