1,2-didodecyl-4-ethanoyl-5-oxidanyl-pyrazol-3-one

Systemtic Name: 1,2-didodecyl-4-ethanoyl-5-oxidanyl-pyrazol-3-one Openeye Name: 4-acetyl-1,2-didodecyl-5-hydroxy-pyrazol-3-one CAS Name: 4-acetyl-1,2-didodecyl-5-hydroxy-3-pyrazolone IUPAC Name: 4-acetyl-1,2-didodecyl-5-hydroxypyrazol-3-one Traditional Name: 4-acetyl-5-hydroxy-1,2-dilauryl-3-pyrazolin-3-one Formula: C29H54N2O3 MolecularWeight: 478.75066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=C(C(=O)N1CCCCCCCCCCCC)C(=O)C)O

Isomeric SMILES

CCCCCCCCCCCCN1C(=C(C(=O)N1CCCCCCCCCCCC)C(=O)C)O

InChI

InChI=1S/C29H54N2O3/c1-4-6-8-10-12-14-16-18-20-22-24-30-28(33)27(26(3)32)29(34)31(30)25-23-21-19-17-15-13-11-9-7-5-2/h33H,4-25H2,1-3H3