7,7-dimethyloctanoic acid; 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene

Systemtic Name: 7,7-dimethyloctanoic acid; 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene Openeye Name: 7,7-dimethyloctanoic acid; [1-methyl-1-(1-methyl-1-phenyl-ethyl)peroxy-ethyl]benzene CAS Name: 7,7-dimethyloctanoic acid; 2-(2-phenylpropan-2-yldioxy)propan-2-ylbenzene IUPAC Name: 7,7-dimethyloctanoic acid; 2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene Traditional Name: (1-cumylperoxy-1-methyl-ethyl)benzene; 7,7-dimethylcaprylic acid Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCCCCC(=O)O.CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CCCCCC(=O)O.CC(C)(C1=CC=CC=C1)OOC(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C18H22O2.C10H20O2/c1-17(2,15-11-7-5-8-12-15)19-20-18(3,4)16-13-9-6-10-14-16;1-10(2,3)8-6-4-5-7-9(11)12/h5-14H,1-4H3;4-8H2,1-3H3,(H,11,12)