2-tert-butylperoxy-7,7-dimethyl-octanoic acid; 2-tert-butylperoxy-2-ethyl-hexanoic acid

Systemtic Name: 2-tert-butylperoxy-7,7-dimethyl-octanoic acid; 2-tert-butylperoxy-2-ethyl-hexanoic acid Openeye Name: 2-tert-butylperoxy-7,7-dimethyl-octanoic acid; 2-tert-butylperoxy-2-ethyl-hexanoic acid CAS Name: 2-tert-butyldioxy-7,7-dimethyloctanoic acid; 2-tert-butyldioxy-2-ethylhexanoic acid IUPAC Name: 2-tert-butylperoxy-7,7-dimethyloctanoic acid; 2-tert-butylperoxy-2-ethylhexanoic acid Traditional Name: 2-tert-butylperoxy-7,7-dimethyl-caprylic acid; 2-tert-butylperoxy-2-ethyl-hexanoic acid Formula: C26H52O8 MolecularWeight: 492.68628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(C(=O)O)OOC(C)(C)C.CC(C)(C)CCCCC(C(=O)O)OOC(C)(C)C

Isomeric SMILES

CCCCC(CC)(C(=O)O)OOC(C)(C)C.CC(C)(C)CCCCC(C(=O)O)OOC(C)(C)C

InChI

InChI=1S/C14H28O4.C12H24O4/c1-13(2,3)10-8-7-9-11(12(15)16)17-18-14(4,5)6;1-6-8-9-12(7-2,10(13)14)16-15-11(3,4)5/h11H,7-10H2,1-6H3,(H,15,16);6-9H2,1-5H3,(H,13,14)