2-ethylhexyl 4-oxidanylidenecyclohexa-1,5-diene-1-carboxylate

Systemtic Name: 2-ethylhexyl 4-oxidanylidenecyclohexa-1,5-diene-1-carboxylate Openeye Name: 2-ethylhexyl 4-oxocyclohexa-1,5-diene-1-carboxylate CAS Name: 4-oxo-1-cyclohexa-1,5-dienecarboxylic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-oxocyclohexa-1,5-diene-1-carboxylate Traditional Name: 4-ketocyclohexa-1,5-diene-1-carboxylic acid 2-ethylhexyl ester Formula: C15H22O3 MolecularWeight: 250.33338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C1=CCC(=O)C=C1

Isomeric SMILES

CCCCC(CC)COC(=O)C1=CCC(=O)C=C1

InChI

InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-9,12H,3-6,10-11H2,1-2H3