[(E,2S)-5-ethoxy-5-oxidanylidene-pent-3-en-2-yl] benzoate

Systemtic Name: [(E,2S)-5-ethoxy-5-oxidanylidene-pent-3-en-2-yl] benzoate Openeye Name: [(E,1S)-4-ethoxy-1-methyl-4-oxo-but-2-enyl] benzoate CAS Name: benzoic acid [(E,2S)-5-ethoxy-5-oxopent-3-en-2-yl] ester IUPAC Name: [(E,2S)-5-ethoxy-5-oxopent-3-en-2-yl] benzoate Traditional Name: benzoic acid [(E,1S)-4-ethoxy-4-keto-1-methyl-but-2-enyl] ester Formula: C14H16O4 MolecularWeight: 248.27444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O4/c1-3-17-13(15)10-9-11(2)18-14(16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/b10-9+/t11-/m0/s1