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

Systemtic Name: 2-[3-(decylperoxymethyl)phenyl]-5-ethoxy-3-oxidanylidene-1H-pyrazole-4-carbaldehyde Openeye Name: 2-[3-(decylperoxymethyl)phenyl]-5-ethoxy-3-oxo-1H-pyrazole-4-carbaldehyde CAS Name: 2-[3-(decyldioxymethyl)phenyl]-5-ethoxy-3-oxo-1H-pyrazole-4-carboxaldehyde IUPAC Name: 2-[3-(decylperoxymethyl)phenyl]-5-ethoxy-3-oxo-1H-pyrazole-4-carbaldehyde Traditional Name: 1-[3-(decylperoxymethyl)phenyl]-3-ethoxy-5-keto-3-pyrazoline-4-carbaldehyde Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-3-5-6-7-8-9-10-11-15-29-30-18-19-13-12-14-20(16-19)25-23(27)21(17-26)22(24-25)28-4-2/h12-14,16-17,24H,3-11,15,18H2,1-2H3