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

Systemtic Name: (E)-20-hexadecanoyl-19,20,21-tris(oxidanyl)nonatriacont-9-ene-18,22-dione Openeye Name: (E)-20-hexadecanoyl-19,20,21-trihydroxy-nonatriacont-9-ene-18,22-dione CAS Name: (E)-19,20,21-trihydroxy-20-(1-oxohexadecyl)-9-nonatriacontene-18,22-dione IUPAC Name: (E)-20-hexadecanoyl-19,20,21-trihydroxynonatriacont-9-ene-18,22-dione Traditional Name: (E)-20-hexadecanoyl-19,20,21-trihydroxy-nonatriacont-9-ene-18,22-dione Formula: C55H104O6 MolecularWeight: 861.41066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-50(56)53(59)55(61,52(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)54(60)51(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25,27,53-54,59-61H,4-24,26,28-49H2,1-3H3/b27-25+