methyl (2S)-2-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-hexanoate

Systemtic Name: methyl (2S)-2-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-hexanoate Openeye Name: methyl (2S)-2-hydroxy-2-isobutyl-4-oxo-hexanoate CAS Name: (2S)-2-hydroxy-2-(2-methylpropyl)-4-oxohexanoic acid methyl ester IUPAC Name: methyl (2S)-2-hydroxy-2-(2-methylpropyl)-4-oxohexanoate Traditional Name: (2S)-2-hydroxy-2-isobutyl-4-keto-hexanoic acid methyl ester Formula: C11H20O4 MolecularWeight: 216.2741

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(CC(C)C)(C(=O)OC)O

Isomeric SMILES

CCC(=O)C[C@@](CC(C)C)(C(=O)OC)O

InChI

InChI=1S/C11H20O4/c1-5-9(12)7-11(14,6-8(2)3)10(13)15-4/h8,14H,5-7H2,1-4H3/t11-/m0/s1