1,2,5-trioxepan-4-ylmethyl octadecanoate

Systemtic Name: 1,2,5-trioxepan-4-ylmethyl octadecanoate Openeye Name: 1,2,5-trioxepan-4-ylmethyl octadecanoate CAS Name: octadecanoic acid 1,2,5-trioxepan-4-ylmethyl ester IUPAC Name: 1,2,5-trioxepan-4-ylmethyl octadecanoate Traditional Name: stearic acid 1,2,5-trioxepan-4-ylmethyl ester Formula: C23H44O5 MolecularWeight: 400.59246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1COOCCO1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1COOCCO1

InChI

InChI=1S/C23H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(24)26-20-22-21-28-27-19-18-25-22/h22H,2-21H2,1H3