[(2S)-1-oxidanylideneheptan-2-yl] ethanoate

Systemtic Name: [(2S)-1-oxidanylideneheptan-2-yl] ethanoate Openeye Name: [(1S)-1-formylhexyl] acetate CAS Name: acetic acid [(2S)-1-oxoheptan-2-yl] ester IUPAC Name: [(2S)-1-oxoheptan-2-yl] acetate Traditional Name: acetic acid [(1S)-1-formylhexyl] ester Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=O)OC(=O)C

Isomeric SMILES

CCCCC[C@@H](C=O)OC(=O)C

InChI

InChI=1S/C9H16O3/c1-3-4-5-6-9(7-10)12-8(2)11/h7,9H,3-6H2,1-2H3/t9-/m0/s1