2-methylpentyl docosanoate

Systemtic Name: 2-methylpentyl docosanoate Openeye Name: 2-methylpentyl docosanoate CAS Name: docosanoic acid 2-methylpentyl ester IUPAC Name: 2-methylpentyl docosanoate Traditional Name: behenic acid 2-methylpentyl ester Formula: C28H56O2 MolecularWeight: 424.74304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(C)CCC

InChI

InChI=1S/C28H56O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-28(29)30-26-27(3)24-5-2/h27H,4-26H2,1-3H3