(2S)-2-ethanoyl-2-ethyl-hexanoic acid

Systemtic Name: (2S)-2-ethanoyl-2-ethyl-hexanoic acid Openeye Name: (2S)-2-acetyl-2-ethyl-hexanoic acid CAS Name: (2S)-2-acetyl-2-ethylhexanoic acid IUPAC Name: (2S)-2-acetyl-2-ethylhexanoic acid Traditional Name: (2S)-2-acetyl-2-ethyl-hexanoic acid Formula: C10H18O3 MolecularWeight: 186.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@@](CC)(C(=O)C)C(=O)O

InChI

InChI=1S/C10H18O3/c1-4-6-7-10(5-2,8(3)11)9(12)13/h4-7H2,1-3H3,(H,12,13)/t10-/m0/s1