[(2S)-1-oxidanylidenepentan-2-yl] benzoate

Systemtic Name: [(2S)-1-oxidanylidenepentan-2-yl] benzoate Openeye Name: [(1S)-1-formylbutyl] benzoate CAS Name: benzoic acid [(2S)-1-oxopentan-2-yl] ester IUPAC Name: [(2S)-1-oxopentan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-formylbutyl] ester Formula: C12H14O3 MolecularWeight: 206.23776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCC[C@@H](C=O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C12H14O3/c1-2-6-11(9-13)15-12(14)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3/t11-/m0/s1