4-ethanoyl-3-(hydroxymethyl)-3,4-bis(oxidanyl)docosane-2,5-dione

Systemtic Name: 4-ethanoyl-3-(hydroxymethyl)-3,4-bis(oxidanyl)docosane-2,5-dione Openeye Name: 4-acetyl-3,4-dihydroxy-3-(hydroxymethyl)docosane-2,5-dione CAS Name: 4-acetyl-3,4-dihydroxy-3-(hydroxymethyl)docosane-2,5-dione IUPAC Name: 4-acetyl-3,4-dihydroxy-3-(hydroxymethyl)docosane-2,5-dione Traditional Name: 4-acetyl-3,4-dihydroxy-3-methylol-docosane-2,5-dione Formula: C25H46O6 MolecularWeight: 442.62914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H46O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(29)25(31,22(3)28)24(30,20-26)21(2)27/h26,30-31H,4-20H2,1-3H3