[(E)-3,6-diacetyloxy-2-(2-acetyloxypentacosanoylamino)octadec-4-enyl] ethanoate

Systemtic Name: [(E)-3,6-diacetyloxy-2-(2-acetyloxypentacosanoylamino)octadec-4-enyl] ethanoate Openeye Name: [(E)-3,6-diacetoxy-2-(2-acetoxypentacosanoylamino)octadec-4-enyl] acetate CAS Name: acetic acid [(E)-3,6-diacetyloxy-2-[(2-acetyloxy-1-oxopentacosyl)amino]octadec-4-enyl] ester IUPAC Name: [(E)-3,6-diacetyloxy-2-(2-acetyloxypentacosanoylamino)octadec-4-enyl] acetate Traditional Name: acetic acid [(E)-3,6-diacetoxy-2-(2-acetoxypentacosanoylamino)octadec-4-enyl] ester Formula: C51H93NO9 MolecularWeight: 864.28542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC(=O)C)C(C=CC(CCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC(=O)C)C(/C=C/C(CCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C51H93NO9/c1-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-50(61-46(6)56)51(57)52-48(42-58-43(3)53)49(60-45(5)55)41-40-47(59-44(4)54)38-36-34-32-30-18-16-14-12-10-8-2/h40-41,47-50H,7-39,42H2,1-6H3,(H,52,57)/b41-40+