[(E)-4-methyl-3-octadecanoyloxy-1-oxidanyl-icos-11-en-2-yl] octadecanoate

Systemtic Name: [(E)-4-methyl-3-octadecanoyloxy-1-oxidanyl-icos-11-en-2-yl] octadecanoate Openeye Name: [(E)-1-(hydroxymethyl)-3-methyl-2-octadecanoyloxy-nonadec-10-enyl] octadecanoate CAS Name: octadecanoic acid [(E)-1-hydroxy-4-methyl-3-(1-oxooctadecoxy)eicos-11-en-2-yl] ester IUPAC Name: [(E)-1-hydroxy-4-methyl-3-octadecanoyloxyicos-11-en-2-yl] octadecanoate Traditional Name: stearic acid [(E)-3-methyl-1-methylol-2-stearoyloxy-nonadec-10-enyl] ester Formula: C57H110O5 MolecularWeight: 875.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(CO)C(C(C)CCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(CO)C(C(C)CCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC

InChI

InChI=1S/C57H110O5/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-55(59)61-54(52-58)57(53(4)49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3)62-56(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2/h28,31,53-54,57-58H,5-27,29-30,32-52H2,1-4H3/b31-28+