tert-butyl 3-ethyl-4-propyl-1,2-dioxetane-3-carboxylate; 2,2,4,4-tetramethylpentaneperoxoic acid

Systemtic Name: tert-butyl 3-ethyl-4-propyl-1,2-dioxetane-3-carboxylate; 2,2,4,4-tetramethylpentaneperoxoic acid Openeye Name: tert-butyl 3-ethyl-4-propyl-dioxetane-3-carboxylate; 2,2,4,4-tetramethylpentaneperoxoic acid CAS Name: 3-ethyl-4-propyl-3-dioxetanecarboxylic acid tert-butyl ester; 2,2,4,4-tetramethylpentaneperoxoic acid IUPAC Name: tert-butyl 3-ethyl-4-propyldioxetane-3-carboxylate; 2,2,4,4-tetramethylpentaneperoxoic acid Traditional Name: 3-ethyl-4-propyl-dioxetane-3-carboxylic acid tert-butyl ester; 2,2,4,4-tetramethylperoxyvaleric acid Formula: C21H40O7 MolecularWeight: 404.5381

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(OO1)(CC)C(=O)OC(C)(C)C.CC(C)(C)CC(C)(C)C(=O)OO

Isomeric SMILES

CCCC1C(OO1)(CC)C(=O)OC(C)(C)C.CC(C)(C)CC(C)(C)C(=O)OO

InChI

InChI=1S/C12H22O4.C9H18O3/c1-6-8-9-12(7-2,16-15-9)10(13)14-11(3,4)5;1-8(2,3)6-9(4,5)7(10)12-11/h9H,6-8H2,1-5H3;11H,6H2,1-5H3