[2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanylidene-ethyl] 4-iodanylbenzenecarboperoxoate

Systemtic Name: [2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxidanylidene-ethyl] 4-iodanylbenzenecarboperoxoate Openeye Name: [2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-oxo-ethyl] 4-iodobenzenecarboperoxoate CAS Name: 4-iodobenzenecarboperoxoic acid [2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethyl] ester IUPAC Name: [2-[3-(1-adamantyl)-4-methoxyphenyl]-2-oxoethyl] 4-iodobenzenecarboperoxoate Traditional Name: 4-iodobenzenecarboperoxoic acid [2-[3-(1-adamantyl)-4-methoxy-phenyl]-2-keto-ethyl] ester Formula: C26H27IO5 MolecularWeight: 546.39405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27IO5/c1-30-24-7-4-20(23(28)15-31-32-25(29)19-2-5-21(27)6-3-19)11-22(24)26-12-16-8-17(13-26)10-18(9-16)14-26/h2-7,11,16-18H,8-10,12-15H2,1H3