docosanoate; propane-1,2-diol

Systemtic Name: docosanoate; propane-1,2-diol Openeye Name: docosanoate; propane-1,2-diol CAS Name: docosanoate; propane-1,2-diol IUPAC Name: docosanoate; propane-1,2-diol Traditional Name: behenate; propane-1,2-diol Formula: C25H51O4- MolecularWeight: 415.67004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CC(CO)O

InChI

InChI=1S/C22H44O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3(5)2-4/h2-21H2,1H3,(H,23,24);3-5H,2H2,1H3/p-1