(4-ethylphenyl)carbonyl 3-(1-adamantyl)benzenecarboperoxoate

Systemtic Name: (4-ethylphenyl)carbonyl 3-(1-adamantyl)benzenecarboperoxoate Openeye Name: (4-ethylbenzoyl) 3-(1-adamantyl)benzenecarboperoxoate CAS Name: 3-(1-adamantyl)benzenecarboperoxoic acid [(4-ethylphenyl)-oxomethyl] ester IUPAC Name: (4-ethylbenzoyl) 3-(1-adamantyl)benzenecarboperoxoate Traditional Name: 3-(1-adamantyl)benzenecarboperoxoic acid (4-ethylbenzoyl) ester Formula: C26H28O4 MolecularWeight: 404.49812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OOC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OOC(=O)C2=CC(=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H28O4/c1-2-17-6-8-21(9-7-17)24(27)29-30-25(28)22-4-3-5-23(13-22)26-14-18-10-19(15-26)12-20(11-18)16-26/h3-9,13,18-20H,2,10-12,14-16H2,1H3