[4-(1-oxidanylprop-2-ynyl)phenyl] 4-(2-ethynylperoxypyrimidin-5-yl)benzoate

Systemtic Name: [4-(1-oxidanylprop-2-ynyl)phenyl] 4-(2-ethynylperoxypyrimidin-5-yl)benzoate Openeye Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(2-ethynylperoxypyrimidin-5-yl)benzoate CAS Name: 4-(2-ethynyldioxy-5-pyrimidinyl)benzoic acid [4-(1-hydroxyprop-2-ynyl)phenyl] ester IUPAC Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(2-ethynylperoxypyrimidin-5-yl)benzoate Traditional Name: 4-(2-ethynylperoxypyrimidin-5-yl)benzoic acid [4-(1-hydroxyprop-2-ynyl)phenyl] ester Formula: C22H14N2O5 MolecularWeight: 386.35696

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CN=C(N=C3)OOC#C)O

Isomeric SMILES

C#CC(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CN=C(N=C3)OOC#C)O

InChI

InChI=1S/C22H14N2O5/c1-3-20(25)16-9-11-19(12-10-16)28-21(26)17-7-5-15(6-8-17)18-13-23-22(24-14-18)29-27-4-2/h1-2,5-14,20,25H