19-[2,3-bis(oxidanyl)propoxy]-20-oxidanyl-21-[(E)-pentadec-6-enyl]nonatriacontane-18,22-dione

Systemtic Name: 19-[2,3-bis(oxidanyl)propoxy]-20-oxidanyl-21-[(E)-pentadec-6-enyl]nonatriacontane-18,22-dione Openeye Name: 19-(2,3-dihydroxypropoxy)-20-hydroxy-21-[(E)-pentadec-6-enyl]nonatriacontane-18,22-dione CAS Name: 19-(2,3-dihydroxypropoxy)-20-hydroxy-21-[(E)-pentadec-6-enyl]nonatriacontane-18,22-dione IUPAC Name: 19-(2,3-dihydroxypropoxy)-20-hydroxy-21-[(E)-pentadec-6-enyl]nonatriacontane-18,22-dione Traditional Name: 19-glyceryloxy-20-hydroxy-21-[(E)-pentadec-6-enyl]nonatriacontane-18,22-dione Formula: C57H110O6 MolecularWeight: 891.4797

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CCCCCC=CCCCCCCCC)C(C(C(=O)CCCCCCCCCCCCCCCCC)OCC(CO)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(CCCCC/C=C/CCCCCCCC)C(C(C(=O)CCCCCCCCCCCCCCCCC)OCC(CO)O)O

InChI

InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(60)53(47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)56(62)57(63-51-52(59)50-58)55(61)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h29,32,52-53,56-59,62H,4-28,30-31,33-51H2,1-3H3/b32-29+