3,7-dimethyloctyl docosanoate

Systemtic Name: 3,7-dimethyloctyl docosanoate Openeye Name: 3,7-dimethyloctyl docosanoate CAS Name: docosanoic acid 3,7-dimethyloctyl ester IUPAC Name: 3,7-dimethyloctyl docosanoate Traditional Name: behenic acid 3,7-dimethyloctyl ester Formula: C32H64O2 MolecularWeight: 480.84936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OCCC(C)CCCC(C)C

InChI

InChI=1S/C32H64O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-32(33)34-29-28-31(4)26-24-25-30(2)3/h30-31H,5-29H2,1-4H3