2-ethylhexyl [7-methyl-7-[2-(4-phenylphenyl)propan-2-ylperoxy]octa-3,5-diyn-2-yl] carbonate

Systemtic Name: 2-ethylhexyl [7-methyl-7-[2-(4-phenylphenyl)propan-2-ylperoxy]octa-3,5-diyn-2-yl] carbonate Openeye Name: [1,6-dimethyl-6-[1-methyl-1-(4-phenylphenyl)ethyl]peroxy-hepta-2,4-diynyl] 2-ethylhexyl carbonate CAS Name: carbonic acid 2-ethylhexyl [7-methyl-7-[2-(4-phenylphenyl)propan-2-yldioxy]octa-3,5-diyn-2-yl] ester IUPAC Name: 2-ethylhexyl [7-methyl-7-[2-(4-phenylphenyl)propan-2-ylperoxy]octa-3,5-diyn-2-yl] carbonate Traditional Name: carbonic acid [1,6-dimethyl-6-[1-methyl-1-(4-phenylphenyl)ethyl]peroxy-hepta-2,4-diynyl] 2-ethylhexyl ester Formula: C33H42O5 MolecularWeight: 518.68358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)OC(C)C#CC#CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCC(CC)COC(=O)OC(C)C#CC#CC(C)(C)OOC(C)(C)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C33H42O5/c1-8-10-17-27(9-2)25-35-31(34)36-26(3)16-14-15-24-32(4,5)37-38-33(6,7)30-22-20-29(21-23-30)28-18-12-11-13-19-28/h11-13,18-23,26-27H,8-10,17,25H2,1-7H3