ethyl benzoate; 2-methylpropanoate

Systemtic Name: ethyl benzoate; 2-methylpropanoate Openeye Name: ethyl benzoate; 2-methylpropanoate CAS Name: benzoic acid ethyl ester; 2-methylpropanoate IUPAC Name: ethyl benzoate; 2-methylpropanoate Traditional Name: benzoic acid ethyl ester isobutyrate Formula: C13H17O4- MolecularWeight: 237.27168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10O2.C4H8O2/c1-2-11-9(10)8-6-4-3-5-7-8;1-3(2)4(5)6/h3-7H,2H2,1H3;3H,1-2H3,(H,5,6)/p-1