2-[3-(decylperoxymethyl)phenyl]-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbaldehyde

Systemtic Name: 2-[3-(decylperoxymethyl)phenyl]-5-methyl-3-oxidanylidene-1H-pyrazole-4-carbaldehyde Openeye Name: 2-[3-(decylperoxymethyl)phenyl]-5-methyl-3-oxo-1H-pyrazole-4-carbaldehyde CAS Name: 2-[3-(decyldioxymethyl)phenyl]-5-methyl-3-oxo-1H-pyrazole-4-carboxaldehyde IUPAC Name: 2-[3-(decylperoxymethyl)phenyl]-5-methyl-3-oxo-1H-pyrazole-4-carbaldehyde Traditional Name: 1-[3-(decylperoxymethyl)phenyl]-5-keto-3-methyl-3-pyrazoline-4-carbaldehyde Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOOCC1=CC(=CC=C1)N2C(=O)C(=C(N2)C)C=O

Isomeric SMILES

CCCCCCCCCCOOCC1=CC(=CC=C1)N2C(=O)C(=C(N2)C)C=O

InChI

InChI=1S/C22H32N2O4/c1-3-4-5-6-7-8-9-10-14-27-28-17-19-12-11-13-20(15-19)24-22(26)21(16-25)18(2)23-24/h11-13,15-16,23H,3-10,14,17H2,1-2H3