22-oxidanyl-22-(1-oxidanyl-2-oxidanylidene-pentyl)tetratetracontane-20,23-dione

Systemtic Name: 22-oxidanyl-22-(1-oxidanyl-2-oxidanylidene-pentyl)tetratetracontane-20,23-dione Openeye Name: 22-hydroxy-22-(1-hydroxy-2-oxo-pentyl)tetratetracontane-20,23-dione CAS Name: 22-hydroxy-22-(1-hydroxy-2-oxopentyl)tetratetracontane-20,23-dione IUPAC Name: 22-hydroxy-22-(1-hydroxy-2-oxopentyl)tetratetracontane-20,23-dione Traditional Name: 22-hydroxy-22-(1-hydroxy-2-keto-pentyl)tetratetracontane-20,23-dione Formula: C49H94O5 MolecularWeight: 763.26766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CC(=O)CCCCCCCCCCCCCCCCCCC)(C(C(=O)CCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)C(CC(=O)CCCCCCCCCCCCCCCCCCC)(C(C(=O)CCC)O)O

InChI

InChI=1S/C49H94O5/c1-4-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-43-47(52)49(54,48(53)46(51)41-6-3)44-45(50)42-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-5-2/h48,53-54H,4-44H2,1-3H3