(2S)-5-oxidanylidene-2-propan-2-yl-hexanoate

Systemtic Name: (2S)-5-oxidanylidene-2-propan-2-yl-hexanoate Openeye Name: (2S)-2-isopropyl-5-oxo-hexanoate CAS Name: (2S)-5-oxo-2-propan-2-ylhexanoate IUPAC Name: (2S)-5-oxo-2-propan-2-ylhexanoate Traditional Name: (2S)-2-isopropyl-5-keto-hexanoate Formula: C9H15O3- MolecularWeight: 171.2136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(=O)C)C(=O)[O-]

Isomeric SMILES

CC(C)[C@H](CCC(=O)C)C(=O)[O-]

InChI

InChI=1S/C9H16O3/c1-6(2)8(9(11)12)5-4-7(3)10/h6,8H,4-5H2,1-3H3,(H,11,12)/p-1/t8-/m0/s1