5-oxidanyl-3-oxidanylidene-5-phenethyl-octanoate

Systemtic Name: 5-oxidanyl-3-oxidanylidene-5-phenethyl-octanoate Openeye Name: 5-hydroxy-3-oxo-5-phenethyl-octanoate CAS Name: 5-hydroxy-3-oxo-5-phenethyloctanoate IUPAC Name: 5-hydroxy-3-oxo-5-phenethyloctanoate Traditional Name: 5-hydroxy-3-keto-5-phenethyl-caprylate Formula: C16H21O4- MolecularWeight: 277.33554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC1=CC=CC=C1)(CC(=O)CC(=O)[O-])O

Isomeric SMILES

CCCC(CCC1=CC=CC=C1)(CC(=O)CC(=O)[O-])O

InChI

InChI=1S/C16H22O4/c1-2-9-16(20,12-14(17)11-15(18)19)10-8-13-6-4-3-5-7-13/h3-7,20H,2,8-12H2,1H3,(H,18,19)/p-1