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

Systemtic Name: [4-(1-oxidanylprop-2-ynyl)phenyl] 4-(5-ethynylperoxypyrimidin-2-yl)benzoate Openeye Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(5-ethynylperoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-ethynyldioxy-2-pyrimidinyl)benzoic acid [4-(1-hydroxyprop-2-ynyl)phenyl] ester IUPAC Name: [4-(1-hydroxyprop-2-ynyl)phenyl] 4-(5-ethynylperoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethynylperoxypyrimidin-2-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=NC=C(C=N3)OOC#C)O

Isomeric SMILES

C#CC(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OOC#C)O

InChI

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