phenyl 2-(3-oxidanylpentan-3-yl)octanoate

Systemtic Name: phenyl 2-(3-oxidanylpentan-3-yl)octanoate Openeye Name: phenyl 2-(1-ethyl-1-hydroxy-propyl)octanoate CAS Name: 2-(3-hydroxypentan-3-yl)octanoic acid phenyl ester IUPAC Name: phenyl 2-(3-hydroxypentan-3-yl)octanoate Traditional Name: 2-(1-ethyl-1-hydroxy-propyl)caprylic acid phenyl ester Formula: C19H30O3 MolecularWeight: 306.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OC1=CC=CC=C1)C(CC)(CC)O

Isomeric SMILES

CCCCCCC(C(=O)OC1=CC=CC=C1)C(CC)(CC)O

InChI

InChI=1S/C19H30O3/c1-4-7-8-12-15-17(19(21,5-2)6-3)18(20)22-16-13-10-9-11-14-16/h9-11,13-14,17,21H,4-8,12,15H2,1-3H3