3-ethyl-2-(phenylcarbonyl)octanoate

Systemtic Name: 3-ethyl-2-(phenylcarbonyl)octanoate Openeye Name: 2-benzoyl-3-ethyl-octanoate CAS Name: 2-benzoyl-3-ethyloctanoate IUPAC Name: 2-benzoyl-3-ethyloctanoate Traditional Name: 2-benzoyl-3-ethyl-caprylate Formula: C17H23O3- MolecularWeight: 275.36272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C(=O)C1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CCCCCC(CC)C(C(=O)C1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C17H24O3/c1-3-5-7-10-13(4-2)15(17(19)20)16(18)14-11-8-6-9-12-14/h6,8-9,11-13,15H,3-5,7,10H2,1-2H3,(H,19,20)/p-1