propan-2-yl 5-oxidanyl-3-oxidanylidene-octanoate

Systemtic Name: propan-2-yl 5-oxidanyl-3-oxidanylidene-octanoate Openeye Name: isopropyl 5-hydroxy-3-oxo-octanoate CAS Name: 5-hydroxy-3-oxooctanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-hydroxy-3-oxooctanoate Traditional Name: 5-hydroxy-3-keto-caprylic acid isopropyl ester Formula: C11H20O4 MolecularWeight: 216.2741

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)CC(=O)OC(C)C)O

Isomeric SMILES

CCCC(CC(=O)CC(=O)OC(C)C)O

InChI

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