(3-fluorophenyl)carbonyl 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate

Systemtic Name: (3-fluorophenyl)carbonyl 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate Openeye Name: (3-fluorobenzoyl) 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate CAS Name: 3-(1-adamantyl)-4-methoxybenzenecarboperoxoic acid [(3-fluorophenyl)-oxomethyl] ester IUPAC Name: (3-fluorobenzoyl) 3-(1-adamantyl)-4-methoxybenzenecarboperoxoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoic acid (3-fluorobenzoyl) ester Formula: C25H25FO5 MolecularWeight: 424.461403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25FO5/c1-29-22-6-5-19(24(28)31-30-23(27)18-3-2-4-20(26)10-18)11-21(22)25-12-15-7-16(13-25)9-17(8-15)14-25/h2-6,10-11,15-17H,7-9,12-14H2,1H3