[2-(hydroxymethyl)-4-methyl-pentyl] octadecanoate

Systemtic Name: [2-(hydroxymethyl)-4-methyl-pentyl] octadecanoate Openeye Name: [2-(hydroxymethyl)-4-methyl-pentyl] octadecanoate CAS Name: octadecanoic acid [2-(hydroxymethyl)-4-methylpentyl] ester IUPAC Name: [2-(hydroxymethyl)-4-methylpentyl] octadecanoate Traditional Name: stearic acid (4-methyl-2-methylol-pentyl) ester Formula: C25H50O3 MolecularWeight: 398.6627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(C)C)CO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(CC(C)C)CO

InChI

InChI=1S/C25H50O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)28-22-24(21-26)20-23(2)3/h23-24,26H,4-22H2,1-3H3