[(4S)-2-methyl-5-oxidanylidene-undecan-4-yl] ethanoate

Systemtic Name: [(4S)-2-methyl-5-oxidanylidene-undecan-4-yl] ethanoate Openeye Name: [(1S)-1-isobutyl-2-oxo-octyl] acetate CAS Name: acetic acid [(4S)-2-methyl-5-oxoundecan-4-yl] ester IUPAC Name: [(4S)-2-methyl-5-oxoundecan-4-yl] acetate Traditional Name: acetic acid [(1S)-1-isobutyl-2-keto-octyl] ester Formula: C14H26O3 MolecularWeight: 242.35444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C(CC(C)C)OC(=O)C

Isomeric SMILES

CCCCCCC(=O)[C@H](CC(C)C)OC(=O)C

InChI

InChI=1S/C14H26O3/c1-5-6-7-8-9-13(16)14(10-11(2)3)17-12(4)15/h11,14H,5-10H2,1-4H3/t14-/m0/s1