[4-(2-oxidanylbut-3-ynyl)phenyl] 4-(5-ethynylperoxypyrimidin-2-yl)benzoate

Systemtic Name: [4-(2-oxidanylbut-3-ynyl)phenyl] 4-(5-ethynylperoxypyrimidin-2-yl)benzoate Openeye Name: [4-(2-hydroxybut-3-ynyl)phenyl] 4-(5-ethynylperoxypyrimidin-2-yl)benzoate CAS Name: 4-(5-ethynyldioxy-2-pyrimidinyl)benzoic acid [4-(2-hydroxybut-3-ynyl)phenyl] ester IUPAC Name: [4-(2-hydroxybut-3-ynyl)phenyl] 4-(5-ethynylperoxypyrimidin-2-yl)benzoate Traditional Name: 4-(5-ethynylperoxypyrimidin-2-yl)benzoic acid [4-(2-hydroxybut-3-ynyl)phenyl] ester Formula: C23H16N2O5 MolecularWeight: 400.38354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OOC#C)O

Isomeric SMILES

C#CC(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NC=C(C=N3)OOC#C)O

InChI

InChI=1S/C23H16N2O5/c1-3-19(26)13-16-5-11-20(12-6-16)29-23(27)18-9-7-17(8-10-18)22-24-14-21(15-25-22)30-28-4-2/h1-2,5-12,14-15,19,26H,13H2