(4E)-2-[3-(decylperoxymethyl)phenyl]-5-ethoxy-4-(oxidanylmethylidene)pyrazolidin-3-one

Systemtic Name: (4E)-2-[3-(decylperoxymethyl)phenyl]-5-ethoxy-4-(oxidanylmethylidene)pyrazolidin-3-one Openeye Name: (4E)-2-[3-(decylperoxymethyl)phenyl]-5-ethoxy-4-(hydroxymethylene)pyrazolidin-3-one CAS Name: (4E)-2-[3-(decyldioxymethyl)phenyl]-5-ethoxy-4-(hydroxymethylidene)-3-pyrazolidinone IUPAC Name: (4E)-2-[3-(decylperoxymethyl)phenyl]-5-ethoxy-4-(hydroxymethylidene)pyrazolidin-3-one Traditional Name: (4E)-2-[3-(decylperoxymethyl)phenyl]-5-ethoxy-4-(hydroxymethylene)pyrazolidin-3-one Formula: C23H36N2O5 MolecularWeight: 420.54234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O5/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/h12-14,16-17,22,24,26H,3-11,15,18H2,1-2H3/b21-17+