tert-butyl octanoate

Systemtic Name: tert-butyl octanoate Openeye Name: tert-butyl octanoate CAS Name: octanoic acid tert-butyl ester IUPAC Name: tert-butyl octanoate Traditional Name: caprylic acid tert-butyl ester Formula: C12H24O2 MolecularWeight: 199.318494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCC[11CH3]

InChI

InChI=1S/C12H24O2/c1-5-6-7-8-9-10-11(13)14-12(2,3)4/h5-10H2,1-4H3/i1-1