2,3-bis(oxidanyl)propyl 2-octan-3-yldocosanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 2-octan-3-yldocosanoate Openeye Name: 2,3-dihydroxypropyl 2-(1-ethylhexyl)docosanoate CAS Name: 2-octan-3-yldocosanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 2-octan-3-yldocosanoate Traditional Name: 2-(1-ethylhexyl)behenic acid glyceryl ester Formula: C33H66O4 MolecularWeight: 526.87474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC(C(CC)CCCCC)C(=O)OCC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC(C(CC)CCCCC)C(=O)OCC(CO)O

InChI

InChI=1S/C33H66O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-32(30(6-3)26-24-8-5-2)33(36)37-29-31(35)28-34/h30-32,34-35H,4-29H2,1-3H3