[2,2-dimethyl-4-[3-methyl-3-(2-methylpentan-2-ylperoxy)but-1-ynyl]oxan-4-yl] benzoate

Systemtic Name: [2,2-dimethyl-4-[3-methyl-3-(2-methylpentan-2-ylperoxy)but-1-ynyl]oxan-4-yl] benzoate Openeye Name: [4-[3-(1,1-dimethylbutylperoxy)-3-methyl-but-1-ynyl]-2,2-dimethyl-tetrahydropyran-4-yl] benzoate CAS Name: benzoic acid [2,2-dimethyl-4-[3-methyl-3-(2-methylpentan-2-yldioxy)but-1-ynyl]-4-oxanyl] ester IUPAC Name: [2,2-dimethyl-4-[3-methyl-3-(2-methylpentan-2-ylperoxy)but-1-ynyl]oxan-4-yl] benzoate Traditional Name: benzoic acid [4-[3-(1,1-dimethylbutylperoxy)-3-methyl-but-1-ynyl]-2,2-dimethyl-tetrahydropyran-4-yl] ester Formula: C25H36O5 MolecularWeight: 416.55034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)OOC(C)(C)C#CC1(CCOC(C1)(C)C)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(C)(C)OOC(C)(C)C#CC1(CCOC(C1)(C)C)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H36O5/c1-8-14-22(2,3)29-30-23(4,5)15-16-25(17-18-27-24(6,7)19-25)28-21(26)20-12-10-9-11-13-20/h9-13H,8,14,17-19H2,1-7H3