[3-(hydroxymethyl)phenyl]carbonyl 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate

Systemtic Name: [3-(hydroxymethyl)phenyl]carbonyl 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate Openeye Name: [3-(hydroxymethyl)benzoyl] 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoate CAS Name: 3-(1-adamantyl)-4-methoxybenzenecarboperoxoic acid [[3-(hydroxymethyl)phenyl]-oxomethyl] ester IUPAC Name: [3-(hydroxymethyl)benzoyl] 3-(1-adamantyl)-4-methoxybenzenecarboperoxoate Traditional Name: 3-(1-adamantyl)-4-methoxy-benzenecarboperoxoic acid (3-methylolbenzoyl) ester Formula: C26H28O6 MolecularWeight: 436.49692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28O6/c1-30-23-6-5-21(25(29)32-31-24(28)20-4-2-3-16(10-20)15-27)11-22(23)26-12-17-7-18(13-26)9-19(8-17)14-26/h2-6,10-11,17-19,27H,7-9,12-15H2,1H3