2-acetyloxy-21-methyl-docosanoic acid

Systemtic Name: 2-acetyloxy-21-methyl-docosanoic acid Openeye Name: 2-acetoxy-21-methyl-docosanoic acid CAS Name: 2-acetyloxy-21-methyldocosanoic acid IUPAC Name: 2-acetyloxy-21-methyldocosanoic acid Traditional Name: 2-acetoxy-21-methyl-behenic acid Formula: C25H48O4 MolecularWeight: 412.64622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCCCCC(C(=O)O)OC(=O)C

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCCCCC(C(=O)O)OC(=O)C

InChI

InChI=1S/C25H48O4/c1-22(2)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-24(25(27)28)29-23(3)26/h22,24H,4-21H2,1-3H3,(H,27,28)