6-butanoyl-5-(hydroxymethyl)-5,6-bis(oxidanyl)tetracosane-4,7-dione

Systemtic Name: 6-butanoyl-5-(hydroxymethyl)-5,6-bis(oxidanyl)tetracosane-4,7-dione Openeye Name: 6-butanoyl-5,6-dihydroxy-5-(hydroxymethyl)tetracosane-4,7-dione CAS Name: 5,6-dihydroxy-5-(hydroxymethyl)-6-(1-oxobutyl)tetracosane-4,7-dione IUPAC Name: 6-butanoyl-5,6-dihydroxy-5-(hydroxymethyl)tetracosane-4,7-dione Traditional Name: 6-butyryl-5,6-dihydroxy-5-methylol-tetracosane-4,7-dione Formula: C29H54O6 MolecularWeight: 498.73546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCC)(C(CO)(C(=O)CCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C(C(=O)CCC)(C(CO)(C(=O)CCC)O)O

InChI

InChI=1S/C29H54O6/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(33)29(35,26(32)22-6-3)28(34,24-30)25(31)21-5-2/h30,34-35H,4-24H2,1-3H3