2-ethylhexyl 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: 2-ethylhexyl 4-oxidanylidene-4-phenyl-butanoate Openeye Name: 2-ethylhexyl 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid 2-ethylhexyl ester Formula: C18H26O3 MolecularWeight: 290.39724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O3/c1-3-5-9-15(4-2)14-21-18(20)13-12-17(19)16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3