hexyl benzoate; 2-methylpropanoate

Systemtic Name: hexyl benzoate; 2-methylpropanoate Openeye Name: hexyl benzoate; 2-methylpropanoate CAS Name: benzoic acid hexyl ester; 2-methylpropanoate IUPAC Name: hexyl benzoate; 2-methylpropanoate Traditional Name: benzoic acid hexyl ester isobutyrate Formula: C17H25O4- MolecularWeight: 293.378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2.C4H8O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12;1-3(2)4(5)6/h5-7,9-10H,2-4,8,11H2,1H3;3H,1-2H3,(H,5,6)/p-1