octadecanoate; propane-1,2,3-triol; ethanoate

Systemtic Name: octadecanoate; propane-1,2,3-triol; ethanoate Openeye Name: glycerol; octadecanoate; acetate CAS Name: octadecanoate; propane-1,2,3-triol; acetate IUPAC Name: octadecanoate; propane-1,2,3-triol; acetate Traditional Name: glycerol; stearate; acetate Formula: C23H46O7-2 MolecularWeight: 434.60714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CC(=O)[O-].C(C(CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CC(=O)[O-].C(C(CO)O)O

InChI

InChI=1S/C18H36O2.C3H8O3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-3(6)2-5;1-2(3)4/h2-17H2,1H3,(H,19,20);3-6H,1-2H2;1H3,(H,3,4)/p-2