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

Systemtic Name: 20-[(E)-octadec-9-enoyl]-19,20,21-tris(oxidanyl)tritetracontane-18,22-dione Openeye Name: 19,20,21-trihydroxy-20-[(E)-octadec-9-enoyl]tritetracontane-18,22-dione CAS Name: 19,20,21-trihydroxy-20-[(E)-1-oxooctadec-9-enyl]tritetracontane-18,22-dione IUPAC Name: 19,20,21-trihydroxy-20-[(E)-octadec-9-enoyl]tritetracontane-18,22-dione Traditional Name: (E)-19,20-dihydroxy-19-(1-hydroxy-2-keto-nonadecyl)dotetracont-9-ene-18,21-dione Formula: C61H116O6 MolecularWeight: 945.57014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCCCCCCCCCCCC)O)(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C61H116O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-57(63)60(66)61(67,58(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)59(65)56(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h27,33,59-60,65-67H,4-26,28-32,34-55H2,1-3H3/b33-27+