pentan-3-yl docosanoate

Systemtic Name: pentan-3-yl docosanoate Openeye Name: 1-ethylpropyl docosanoate CAS Name: docosanoic acid pentan-3-yl ester IUPAC Name: pentan-3-yl docosanoate Traditional Name: behenic acid 1-ethylpropyl ester Formula: C27H54O2 MolecularWeight: 410.71646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC)CC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CC)CC

InChI

InChI=1S/C27H54O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27(28)29-26(5-2)6-3/h26H,4-25H2,1-3H3