(5-propanoylcyclohexa-1,5-dien-1-yl) propanoate

Systemtic Name: (5-propanoylcyclohexa-1,5-dien-1-yl) propanoate Openeye Name: (5-propanoylcyclohexa-1,5-dien-1-yl) propanoate CAS Name: propanoic acid [5-(1-oxopropyl)-1-cyclohexa-1,5-dienyl] ester IUPAC Name: (5-propanoylcyclohexa-1,5-dien-1-yl) propanoate Traditional Name: propionic acid (5-propionylcyclohexa-1,5-dien-1-yl) ester Formula: C12H16O3 MolecularWeight: 208.25364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=CCC1)OC(=O)CC

Isomeric SMILES

CCC(=O)C1=CC(=CCC1)OC(=O)CC

InChI

InChI=1S/C12H16O3/c1-3-11(13)9-6-5-7-10(8-9)15-12(14)4-2/h7-8H,3-6H2,1-2H3