3,3-dimethyl-2-(2-methyl-4-oxidanyl-hexyl)peroxy-butanoate

Systemtic Name: 3,3-dimethyl-2-(2-methyl-4-oxidanyl-hexyl)peroxy-butanoate Openeye Name: 2-(4-hydroxy-2-methyl-hexyl)peroxy-3,3-dimethyl-butanoate CAS Name: 2-(4-hydroxy-2-methylhexyl)dioxy-3,3-dimethylbutanoate IUPAC Name: 2-(4-hydroxy-2-methylhexyl)peroxy-3,3-dimethylbutanoate Traditional Name: 2-(4-hydroxy-2-methyl-hexyl)peroxy-3,3-dimethyl-butyrate Formula: C13H25O5- MolecularWeight: 261.3346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)COOC(C(=O)[O-])C(C)(C)C)O

Isomeric SMILES

CCC(CC(C)COOC(C(=O)[O-])C(C)(C)C)O

InChI

InChI=1S/C13H26O5/c1-6-10(14)7-9(2)8-17-18-11(12(15)16)13(3,4)5/h9-11,14H,6-8H2,1-5H3,(H,15,16)/p-1