[(E)-prop-1-enyl] 3-(1-adamantyl)-2-[(4-methoxyphenyl)methyl]benzenecarboperoxoate

Systemtic Name: [(E)-prop-1-enyl] 3-(1-adamantyl)-2-[(4-methoxyphenyl)methyl]benzenecarboperoxoate Openeye Name: [(E)-prop-1-enyl] 3-(1-adamantyl)-2-[(4-methoxyphenyl)methyl]benzenecarboperoxoate CAS Name: 3-(1-adamantyl)-2-[(4-methoxyphenyl)methyl]benzenecarboperoxoic acid [(E)-prop-1-enyl] ester IUPAC Name: [(E)-prop-1-enyl] 3-(1-adamantyl)-2-[(4-methoxyphenyl)methyl]benzenecarboperoxoate Traditional Name: 3-(1-adamantyl)-2-p-anisyl-benzenecarboperoxoic acid [(E)-prop-1-enyl] ester Formula: C28H32O4 MolecularWeight: 432.55128

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Descriptors Computed from Structure

Canonical SMILES:

CC=COOC(=O)C1=C(C(=CC=C1)C23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)OC

Isomeric SMILES

C/C=C/OOC(=O)C1=C(C(=CC=C1)C23CC4CC(C2)CC(C4)C3)CC5=CC=C(C=C5)OC

InChI

InChI=1S/C28H32O4/c1-3-11-31-32-27(29)24-5-4-6-26(25(24)15-19-7-9-23(30-2)10-8-19)28-16-20-12-21(17-28)14-22(13-20)18-28/h3-11,20-22H,12-18H2,1-2H3/b11-3+