WU8

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

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

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Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count0
Bond Count53
Aromatic Bond Count0
2D diagram of WU8

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Chemical Component Summary

Name3-dodecylsulfanyl-2,2-dimethyl-propanoic acid
Systematic Name (OpenEye OEToolkits)3-dodecylsulfanyl-2,2-dimethyl-propanoic acid
FormulaC17 H34 O2 S
Molecular Weight302.516
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCCCCCCCCCCCSCC(C)(C)C(O)=O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCSCC(C)(C)C(=O)O
Canonical SMILESCACTVS3.385 CCCCCCCCCCCCSCC(C)(C)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CCCCCCCCCCCCSCC(C)(C)C(=O)O
InChIInChI1.06 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)
InChIKeyInChI1.06 CBYMTUKZNNXAOB-UHFFFAOYSA-N