(4-methoxyphenyl)carbonyl 3-(1-adamantyl)-2-methyl-benzenecarboperoxoate

Systemtic Name: (4-methoxyphenyl)carbonyl 3-(1-adamantyl)-2-methyl-benzenecarboperoxoate Openeye Name: (4-methoxybenzoyl) 3-(1-adamantyl)-2-methyl-benzenecarboperoxoate CAS Name: 3-(1-adamantyl)-2-methylbenzenecarboperoxoic acid [(4-methoxyphenyl)-oxomethyl] ester IUPAC Name: (4-methoxybenzoyl) 3-(1-adamantyl)-2-methylbenzenecarboperoxoate Traditional Name: 3-(1-adamantyl)-2-methyl-benzenecarboperoxoic acid p-anisoyl ester Formula: C26H28O5 MolecularWeight: 420.49752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C23CC4CC(C2)CC(C4)C3)C(=O)OOC(=O)C5=CC=C(C=C5)OC

Isomeric SMILES

CC1=C(C=CC=C1C23CC4CC(C2)CC(C4)C3)C(=O)OOC(=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H28O5/c1-16-22(25(28)31-30-24(27)20-6-8-21(29-2)9-7-20)4-3-5-23(16)26-13-17-10-18(14-26)12-19(11-17)15-26/h3-9,17-19H,10-15H2,1-2H3