[4-[4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]phenyl] butaneperoxoate

Systemtic Name: [4-[4-(4-cyanophenyl)-4-oxidanylidene-butanoyl]phenyl] butaneperoxoate Openeye Name: [4-[4-(4-cyanophenyl)-4-oxo-butanoyl]phenyl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[4-(4-cyanophenyl)-1,4-dioxobutyl]phenyl] ester IUPAC Name: [4-[4-(4-cyanophenyl)-4-oxobutanoyl]phenyl] butaneperoxoate Traditional Name: peroxybutyric acid [4-[4-(4-cyanophenyl)-4-keto-butanoyl]phenyl] ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCC(=O)OOC1=CC=C(C=C1)C(=O)CCC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H19NO5/c1-2-3-21(25)27-26-18-10-8-17(9-11-18)20(24)13-12-19(23)16-6-4-15(14-22)5-7-16/h4-11H,2-3,12-13H2,1H3