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2-ethylhexyl 3,3-dimethylbutanoate

2-ethylhexyl 3,3-dimethylbutanoate

Systemtic Name:2-ethylhexyl 3,3-dimethylbutanoate
Openeye Name:2-ethylhexyl 3,3-dimethylbutanoate
CAS Name:3,3-dimethylbutanoic acid 2-ethylhexyl ester
IUPAC Name:2-ethylhexyl 3,3-dimethylbutanoate
Traditional Name:3,3-dimethylbutyric acid 2-ethylhexyl ester
Formula: C14H28O2
MolecularWeight: 228.37092
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)CC(C)(C)C


Isomeric SMILES

CCCCC(CC)COC(=O)CC(C)(C)C


InChI

InChI=1S/C14H28O2/c1-6-8-9-12(7-2)11-16-13(15)10-14(3,4)5/h12H,6-11H2,1-5H3


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