decanoate; propane-1,2,3-triol

Systemtic Name: decanoate; propane-1,2,3-triol Openeye Name: decanoate; glycerol CAS Name: decanoate; propane-1,2,3-triol IUPAC Name: decanoate; propane-1,2,3-triol Traditional Name: caprate; glycerol Formula: C13H27O5- MolecularWeight: 263.35048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;4-1-3(6)2-5/h2-9H2,1H3,(H,11,12);3-6H,1-2H2/p-1