(E)-19-(hydroxymethyl)-20-octadecanoyl-19,20-bis(oxidanyl)octatriacont-9-ene-18,21-dione

Systemtic Name: (E)-19-(hydroxymethyl)-20-octadecanoyl-19,20-bis(oxidanyl)octatriacont-9-ene-18,21-dione Openeye Name: (E)-19,20-dihydroxy-19-(hydroxymethyl)-20-octadecanoyl-octatriacont-9-ene-18,21-dione CAS Name: (E)-19,20-dihydroxy-19-(hydroxymethyl)-20-(1-oxooctadecyl)-9-octatriacontene-18,21-dione IUPAC Name: (E)-19,20-dihydroxy-19-(hydroxymethyl)-20-octadecanoyloctatriacont-9-ene-18,21-dione Traditional Name: (E)-19,20-dihydroxy-19-methylol-20-stearoyl-octatriacont-9-ene-18,21-dione Formula: C57H108O6 MolecularWeight: 889.46382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCCCC)(C(CO)(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCCCCCCCCCCCCCCCC)(C(CO)(C(=O)CCCCCCC/C=C/CCCCCCCC)O)O

InChI

InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-53(59)56(62,52-58)57(63,54(60)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55(61)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25,28,58,62-63H,4-24,26-27,29-52H2,1-3H3/b28-25+