27,28-bis(oxidanyl)-27-(2-oxidanylidenepentyl)tetrapentacontane-26,29-dione

Systemtic Name: 27,28-bis(oxidanyl)-27-(2-oxidanylidenepentyl)tetrapentacontane-26,29-dione Openeye Name: 27,28-dihydroxy-27-(2-oxopentyl)tetrapentacontane-26,29-dione CAS Name: 27,28-dihydroxy-27-(2-oxopentyl)tetrapentacontane-26,29-dione IUPAC Name: 27,28-dihydroxy-27-(2-oxopentyl)tetrapentacontane-26,29-dione Traditional Name: 27,28-dihydroxy-27-(2-ketopentyl)tetrapentacontane-26,29-dione Formula: C59H114O5 MolecularWeight: 903.53346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)CCC)(C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C(C(CC(=O)CCC)(C(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C59H114O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-52-56(61)58(63)59(64,54-55(60)51-6-3)57(62)53-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h58,63-64H,4-54H2,1-3H3