1,3-bis(oxidanyl)propan-2-yl octadecanoate; octadecanoic acid

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl octadecanoate; octadecanoic acid Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] octadecanoate; stearic acid CAS Name: octadecanoic acid; octadecanoic acid 1,3-dihydroxypropan-2-yl ester IUPAC Name: 1,3-dihydroxypropan-2-yl octadecanoate; octadecanoic acid Traditional Name: stearic acid; stearic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C39H78O6 MolecularWeight: 643.03302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42O4.C18H36O2/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;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h20,22-23H,2-19H2,1H3;2-17H2,1H3,(H,19,20)