2-methylpropanal; (E)-3-phenylprop-2-enoate

Systemtic Name: 2-methylpropanal; (E)-3-phenylprop-2-enoate Openeye Name: 2-methylpropanal; (E)-3-phenylprop-2-enoate CAS Name: 2-methylpropanal; (E)-3-phenyl-2-propenoate IUPAC Name: 2-methylpropanal; (E)-3-phenylprop-2-enoate Traditional Name: 2-methylpropionaldehyde; (E)-3-phenylacrylate Formula: C13H15O3- MolecularWeight: 219.2564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O2.C4H8O/c10-9(11)7-6-8-4-2-1-3-5-8;1-4(2)3-5/h1-7H,(H,10,11);3-4H,1-2H3/p-1/b7-6+;