tridecan-4-yl 3-phenylpropanoate

Systemtic Name: tridecan-4-yl 3-phenylpropanoate Openeye Name: 1-propyldecyl 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid tridecan-4-yl ester IUPAC Name: tridecan-4-yl 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid 1-propyldecyl ester Formula: C22H36O2 MolecularWeight: 332.52004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCC)OC(=O)CCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCC(CCC)OC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C22H36O2/c1-3-5-6-7-8-9-13-17-21(14-4-2)24-22(23)19-18-20-15-11-10-12-16-20/h10-12,15-16,21H,3-9,13-14,17-19H2,1-2H3