4-dodecanoyl-2-dodecyl-5-methyl-1H-pyrazol-3-one

Systemtic Name: 4-dodecanoyl-2-dodecyl-5-methyl-1H-pyrazol-3-one Openeye Name: 4-dodecanoyl-2-dodecyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-dodecyl-5-methyl-4-(1-oxododecyl)-1H-pyrazol-3-one IUPAC Name: 4-dodecanoyl-2-dodecyl-5-methyl-1H-pyrazol-3-one Traditional Name: 4-lauroyl-2-lauryl-5-methyl-3-pyrazolin-3-one Formula: C28H52N2O2 MolecularWeight: 448.72468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=O)CCCCCCCCCCC

InChI

InChI=1S/C28H52N2O2/c1-4-6-8-10-12-14-16-18-20-22-24-30-28(32)27(25(3)29-30)26(31)23-21-19-17-15-13-11-9-7-5-2/h29H,4-24H2,1-3H3