1,3-bis(oxidanyl)propan-2-yl octadecanoate; prop-1-ene

Systemtic Name: 1,3-bis(oxidanyl)propan-2-yl octadecanoate; prop-1-ene Openeye Name: [2-hydroxy-1-(hydroxymethyl)ethyl] octadecanoate; prop-1-ene CAS Name: octadecanoic acid 1,3-dihydroxypropan-2-yl ester; 1-propene IUPAC Name: 1,3-dihydroxypropan-2-yl octadecanoate; prop-1-ene Traditional Name: prop-1-ene; stearic acid (2-hydroxy-1-methylol-ethyl) ester Formula: C24H48O4 MolecularWeight: 400.63552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42O4.C3H6/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;1-3-2/h20,22-23H,2-19H2,1H3;3H,1H2,2H3