[2-(trifluoromethyl)phenyl]carbonyl 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate

Systemtic Name: [2-(trifluoromethyl)phenyl]carbonyl 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate Openeye Name: [2-(trifluoromethyl)benzoyl] 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate CAS Name: 3-(1-adamantyl)-4-methoxybenzenecarboperoxoic acid [oxo-[2-(trifluoromethyl)phenyl]methyl] ester IUPAC Name: [2-(trifluoromethyl)benzoyl] 3-(1-adamantyl)-4-methoxybenzenecarboperoxoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoic acid [2-(trifluoromethyl)benzoyl] ester Formula: C26H25F3O5 MolecularWeight: 474.46891

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2C(F)(F)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2C(F)(F)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H25F3O5/c1-32-22-7-6-18(11-21(22)25-12-15-8-16(13-25)10-17(9-15)14-25)23(30)33-34-24(31)19-4-2-3-5-20(19)26(27,28)29/h2-7,11,15-17H,8-10,12-14H2,1H3