[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl] 3-(1-adamantyl)-4-iodanyl-benzenecarboperoxoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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