22-butanoyl-22,23-bis(oxidanyl)pentatetracontane-20,24-dione

Systemtic Name: 22-butanoyl-22,23-bis(oxidanyl)pentatetracontane-20,24-dione Openeye Name: 22-butanoyl-22,23-dihydroxy-pentatetracontane-20,24-dione CAS Name: 22,23-dihydroxy-22-(1-oxobutyl)pentatetracontane-20,24-dione IUPAC Name: 22-butanoyl-22,23-dihydroxypentatetracontane-20,24-dione Traditional Name: 22-butyryl-22,23-dihydroxy-pentatetracontane-20,24-dione Formula: C49H94O5 MolecularWeight: 763.26766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C49H94O5/c1-4-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-43-46(51)48(53)49(54,47(52)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