5-butanoyl-4,5-bis(oxidanyl)docosane-3,7-dione

Systemtic Name: 5-butanoyl-4,5-bis(oxidanyl)docosane-3,7-dione Openeye Name: 5-butanoyl-4,5-dihydroxy-docosane-3,7-dione CAS Name: 4,5-dihydroxy-5-(1-oxobutyl)docosane-3,7-dione IUPAC Name: 5-butanoyl-4,5-dihydroxydocosane-3,7-dione Traditional Name: 5-butyryl-4,5-dihydroxy-docosane-3,7-dione Formula: C26H48O5 MolecularWeight: 440.65632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)CC(C(C(=O)CC)O)(C(=O)CCC)O

InChI

InChI=1S/C26H48O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-20-22(27)21-26(31,24(29)19-5-2)25(30)23(28)6-3/h25,30-31H,4-21H2,1-3H3