20-[(E)-octadec-9-enoyl]-19,20,21-tris(oxidanyl)nonatriacontane-18,22-dione

Systemtic Name: 20-[(E)-octadec-9-enoyl]-19,20,21-tris(oxidanyl)nonatriacontane-18,22-dione Openeye Name: 19,20,21-trihydroxy-20-[(E)-octadec-9-enoyl]nonatriacontane-18,22-dione CAS Name: 19,20,21-trihydroxy-20-[(E)-1-oxooctadec-9-enyl]nonatriacontane-18,22-dione IUPAC Name: 19,20,21-trihydroxy-20-[(E)-octadec-9-enoyl]nonatriacontane-18,22-dione Traditional Name: (E)-19,20-dihydroxy-19-(1-hydroxy-2-keto-nonadecyl)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(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52(58)55(61)57(63,54(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56(62)53(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h27,30,55-56,61-63H,4-26,28-29,31-51H2,1-3H3/b30-27+