(5-butanoylcyclohexa-1,5-dien-1-yl) butanoate

Systemtic Name: (5-butanoylcyclohexa-1,5-dien-1-yl) butanoate Openeye Name: (5-butanoylcyclohexa-1,5-dien-1-yl) butanoate CAS Name: butanoic acid [5-(1-oxobutyl)-1-cyclohexa-1,5-dienyl] ester IUPAC Name: (5-butanoylcyclohexa-1,5-dien-1-yl) butanoate Traditional Name: butyric acid (5-butyrylcyclohexa-1,5-dien-1-yl) ester Formula: C14H20O3 MolecularWeight: 236.3068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20O3/c1-3-6-13(15)11-8-5-9-12(10-11)17-14(16)7-4-2/h9-10H,3-8H2,1-2H3