(E)-20-octadecanoyl-19,20,21-tris(oxidanyl)nonatriacont-9-ene-18,22-dione

Systemtic Name: (E)-20-octadecanoyl-19,20,21-tris(oxidanyl)nonatriacont-9-ene-18,22-dione Openeye Name: (E)-19,20,21-trihydroxy-20-octadecanoyl-nonatriacont-9-ene-18,22-dione CAS Name: (E)-19,20,21-trihydroxy-20-(1-oxooctadecyl)-9-nonatriacontene-18,22-dione IUPAC Name: (E)-19,20,21-trihydroxy-20-octadecanoylnonatriacont-9-ene-18,22-dione Traditional Name: (E)-19,20,21-trihydroxy-20-stearoyl-nonatriacont-9-ene-18,22-dione Formula: C57H108O6 MolecularWeight: 889.46382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(C(C(=O)CCCCCCC/C=C/CCCCCCCC)O)(C(=O)CCCCCCCCCCCCCCCCC)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/h25,28,55-56,61-63H,4-24,26-27,29-51H2,1-3H3/b28-25+