(E)-17,18-bis(oxidanyl)-18-(2-oxidanylideneheptadecyl)hexatriacont-27-ene-16,19-dione

Systemtic Name: (E)-17,18-bis(oxidanyl)-18-(2-oxidanylideneheptadecyl)hexatriacont-27-ene-16,19-dione Openeye Name: (E)-17,18-dihydroxy-18-(2-oxoheptadecyl)hexatriacont-27-ene-16,19-dione CAS Name: (E)-17,18-dihydroxy-18-(2-oxoheptadecyl)-27-hexatriacontene-16,19-dione IUPAC Name: (E)-17,18-dihydroxy-18-(2-oxoheptadecyl)hexatriacont-27-ene-16,19-dione Traditional Name: (E)-17,18-dihydroxy-18-(2-ketoheptadecyl)hexatriacont-27-ene-16,19-dione Formula: C53H100O5 MolecularWeight: 817.3581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)CCCCCCCC=CCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CCCCCCCCCCCCCCC)O)(C(=O)CCCCCCC/C=C/CCCCCCCC)O

InChI

InChI=1S/C53H100O5/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-51(56)53(58,48-49(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2)52(57)50(55)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3/h25-26,52,57-58H,4-24,27-48H2,1-3H3/b26-25+