[3-methyl-2-[3-(2-oxidanylidene-2-phenyl-ethanoyl)peroxyprop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate

Systemtic Name: [3-methyl-2-[3-(2-oxidanylidene-2-phenyl-ethanoyl)peroxyprop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate Openeye Name: [3-methyl-2-[3-(2-oxo-2-phenyl-acetyl)peroxyprop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [2-[3-(1,2-dioxo-2-phenylethyl)dioxyprop-1-ynyl]-3-methylphenyl]methyl ester IUPAC Name: [3-methyl-2-[3-(2-oxo-2-phenylacetyl)peroxyprop-1-ynyl]phenyl]methyl 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [2-[3-(2-keto-2-phenyl-acetyl)peroxyprop-1-ynyl]-3-methyl-benzyl] ester Formula: C25H26O6 MolecularWeight: 422.47034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OCC1=CC=CC(=C1C#CCOOC(=O)C(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCC(C)(C)C(=O)OCC1=CC=CC(=C1C#CCOOC(=O)C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C25H26O6/c1-5-25(3,4)24(28)29-17-20-14-9-11-18(2)21(20)15-10-16-30-31-23(27)22(26)19-12-7-6-8-13-19/h6-9,11-14H,5,16-17H2,1-4H3