phenylcarbonyloxy 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate

Systemtic Name: phenylcarbonyloxy 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate Openeye Name: benzoyloxy 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate CAS Name: 3-(1-adamantyl)-4-methoxybenzenecarboperoxoic acid benzoyloxy ester IUPAC Name: benzoyloxy 3-(1-adamantyl)-4-methoxybenzenecarboperoxoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoic acid benzoyloxy ester Formula: C25H26O6 MolecularWeight: 422.47034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OOOC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OOOC(=O)C2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H26O6/c1-28-22-8-7-20(24(27)30-31-29-23(26)19-5-3-2-4-6-19)12-21(22)25-13-16-9-17(14-25)11-18(10-16)15-25/h2-8,12,16-18H,9-11,13-15H2,1H3