[(2S)-1-oxidanylidenepent-4-en-2-yl] benzoate

Systemtic Name: [(2S)-1-oxidanylidenepent-4-en-2-yl] benzoate Openeye Name: [(1S)-1-formylbut-3-enyl] benzoate CAS Name: benzoic acid [(2S)-1-oxopent-4-en-2-yl] ester IUPAC Name: [(2S)-1-oxopent-4-en-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-formylbut-3-enyl] ester Formula: C12H12O3 MolecularWeight: 204.22188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O3/c1-2-6-11(9-13)15-12(14)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2/t11-/m0/s1