propyl 4-ethyl-3-oxidanyl-octanoate

Systemtic Name: propyl 4-ethyl-3-oxidanyl-octanoate Openeye Name: propyl 4-ethyl-3-hydroxy-octanoate CAS Name: 4-ethyl-3-hydroxyoctanoic acid propyl ester IUPAC Name: propyl 4-ethyl-3-hydroxyoctanoate Traditional Name: 4-ethyl-3-hydroxy-caprylic acid propyl ester Formula: C13H26O3 MolecularWeight: 230.34374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26O3/c1-4-7-8-11(6-3)12(14)10-13(15)16-9-5-2/h11-12,14H,4-10H2,1-3H3