icosanoyl benzoate

Systemtic Name: icosanoyl benzoate Openeye Name: icosanoyl benzoate CAS Name: benzoic acid 1-oxoeicosyl ester IUPAC Name: icosanoyl benzoate Traditional Name: benzoic acid eicosanoyl ester Formula: C27H44O3 MolecularWeight: 416.63646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCC(=O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCC(=O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C27H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-26(28)30-27(29)25-22-19-18-20-23-25/h18-20,22-23H,2-17,21,24H2,1H3