octanoate; 2-phenylethanoate

Systemtic Name: octanoate; 2-phenylethanoate Openeye Name: octanoate; 2-phenylacetate CAS Name: octanoate; 2-phenylacetate IUPAC Name: octanoate; 2-phenylacetate Traditional Name: caprylate; 2-phenylacetate Formula: C16H22O4-2 MolecularWeight: 278.34348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[O-].C1=CC=C(C=C1)CC(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)[O-].C1=CC=C(C=C1)CC(=O)[O-]

InChI

InChI=1S/C8H8O2.C8H16O2/c9-8(10)6-7-4-2-1-3-5-7;1-2-3-4-5-6-7-8(9)10/h1-5H,6H2,(H,9,10);2-7H2,1H3,(H,9,10)/p-2