(2-hexadecylphenyl) nonanoate

Systemtic Name: (2-hexadecylphenyl) nonanoate Openeye Name: (2-hexadecylphenyl) nonanoate CAS Name: nonanoic acid (2-hexadecylphenyl) ester IUPAC Name: (2-hexadecylphenyl) nonanoate Traditional Name: pelargonic acid (2-cetylphenyl) ester Formula: C31H54O2 MolecularWeight: 458.75926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1OC(=O)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1OC(=O)CCCCCCCC

InChI

InChI=1S/C31H54O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-25-29-26-23-24-27-30(29)33-31(32)28-22-20-10-8-6-4-2/h23-24,26-27H,3-22,25,28H2,1-2H3