1,3-bis(oxidanyl)propan-2-yl octadecanoate; butane-2,3-dione

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl octadecanoate; butane-2,3-dione Openeye Name: butane-2,3-dione; [2-hydroxy-1-(hydroxymethyl)ethyl] octadecanoate CAS Name: butane-2,3-dione; octadecanoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: butane-2,3-dione; 1,3-dihydroxypropan-2-yl octadecanoate Traditional Name: biacetyl; stearic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C25H48O6 MolecularWeight: 444.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.CC(=O)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.CC(=O)C(=O)C

InChI

InChI=1S/C21H42O4.C4H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23;1-3(5)4(2)6/h20,22-23H,2-19H2,1H3;1-2H3