[2-(5-pyrimidin-2-ylsulfanylpentoxy)phenyl] 2,2-dimethylhexaneperoxoate

Systemtic Name: [2-(5-pyrimidin-2-ylsulfanylpentoxy)phenyl] 2,2-dimethylhexaneperoxoate Openeye Name: [2-(5-pyrimidin-2-ylsulfanylpentoxy)phenyl] 2,2-dimethylhexaneperoxoate CAS Name: 2,2-dimethylhexaneperoxoic acid [2-[5-(2-pyrimidinylthio)pentoxy]phenyl] ester IUPAC Name: [2-(5-pyrimidin-2-ylsulfanylpentoxy)phenyl] 2,2-dimethylhexaneperoxoate Traditional Name: 2,2-dimethylhexaneperoxoic acid [2-[5-(2-pyrimidylthio)pentoxy]phenyl] ester Formula: C23H32N2O4S MolecularWeight: 432.57618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C(=O)OOC1=CC=CC=C1OCCCCCSC2=NC=CC=N2

Isomeric SMILES

CCCCC(C)(C)C(=O)OOC1=CC=CC=C1OCCCCCSC2=NC=CC=N2

InChI

InChI=1S/C23H32N2O4S/c1-4-5-14-23(2,3)21(26)29-28-20-13-8-7-12-19(20)27-17-9-6-10-18-30-22-24-15-11-16-25-22/h7-8,11-13,15-16H,4-6,9-10,14,17-18H2,1-3H3