2-methylpropyl 2-(hydroxymethyl)-3-oxidanyl-hexadecanoate

Systemtic Name: 2-methylpropyl 2-(hydroxymethyl)-3-oxidanyl-hexadecanoate Openeye Name: isobutyl 3-hydroxy-2-(hydroxymethyl)hexadecanoate CAS Name: 3-hydroxy-2-(hydroxymethyl)hexadecanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-hydroxy-2-(hydroxymethyl)hexadecanoate Traditional Name: 3-hydroxy-2-methylol-palmitic acid isobutyl ester Formula: C21H42O4 MolecularWeight: 358.55578

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(CO)C(=O)OCC(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCC(C(CO)C(=O)OCC(C)C)O

InChI

InChI=1S/C21H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(23)19(16-22)21(24)25-17-18(2)3/h18-20,22-23H,4-17H2,1-3H3