3-phenylpropanoate; 3-phenylprop-2-enyl 3-phenylpropanoate

Systemtic Name: 3-phenylpropanoate; 3-phenylprop-2-enyl 3-phenylpropanoate Openeye Name: cinnamyl 3-phenylpropanoate; 3-phenylpropanoate CAS Name: 3-phenylpropanoate; 3-phenylpropanoic acid 3-phenylprop-2-enyl ester IUPAC Name: 3-phenylpropanoate; 3-phenylprop-2-enyl 3-phenylpropanoate Traditional Name: 3-phenylpropionate; 3-phenylpropionic acid cinnamyl ester Formula: C27H27O4- MolecularWeight: 415.50088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)OCC=CC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)OCC=CC2=CC=CC=C2

InChI

InChI=1S/C18H18O2.C9H10O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16;10-9(11)7-6-8-4-2-1-3-5-8/h1-12H,13-15H2;1-5H,6-7H2,(H,10,11)/p-1