[(2R)-octan-2-yl] docosanoate

Systemtic Name: [(2R)-octan-2-yl] docosanoate Openeye Name: [(1R)-1-methylheptyl] docosanoate CAS Name: docosanoic acid [(2R)-octan-2-yl] ester IUPAC Name: [(2R)-octan-2-yl] docosanoate Traditional Name: behenic acid [(1R)-1-methylheptyl] ester Formula: C30H60O2 MolecularWeight: 452.7962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](C)CCCCCC

InChI

InChI=1S/C30H60O2/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29(3)27-25-9-7-5-2/h29H,4-28H2,1-3H3/t29-/m1/s1