ethyl 3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-(2-octadecoxyphenyl)-3-oxidanylidene-propanoate Openeye Name: ethyl 3-(2-octadecoxyphenyl)-3-oxo-propanoate CAS Name: 3-(2-octadecoxyphenyl)-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-(2-octadecoxyphenyl)-3-oxopropanoate Traditional Name: 3-keto-3-(2-stearyloxyphenyl)propionic acid ethyl ester Formula: C29H48O4 MolecularWeight: 460.68902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1C(=O)CC(=O)OCC

InChI

InChI=1S/C29H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-33-28-23-20-19-22-26(28)27(30)25-29(31)32-4-2/h19-20,22-23H,3-18,21,24-25H2,1-2H3