docosanoate; propane-1,2,3-triol

Systemtic Name: docosanoate; propane-1,2,3-triol Openeye Name: docosanoate; glycerol CAS Name: docosanoate; propane-1,2,3-triol IUPAC Name: docosanoate; propane-1,2,3-triol Traditional Name: behenate; glycerol Formula: C25H51O5- MolecularWeight: 431.66944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H44O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;4-1-3(6)2-5/h2-21H2,1H3,(H,23,24);3-6H,1-2H2/p-1