2-tert-butylperoxy-3,5,5-trimethyl-hexanoic acid

Systemtic Name: 2-tert-butylperoxy-3,5,5-trimethyl-hexanoic acid Openeye Name: 2-tert-butylperoxy-3,5,5-trimethyl-hexanoic acid CAS Name: 2-tert-butyldioxy-3,5,5-trimethylhexanoic acid IUPAC Name: 2-tert-butylperoxy-3,5,5-trimethylhexanoic acid Traditional Name: 2-tert-butylperoxy-3,5,5-trimethyl-hexanoic acid Formula: C13H26O4 MolecularWeight: 246.34314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C)(C)C)C(C(=O)O)OOC(C)(C)C

Isomeric SMILES

CC(CC(C)(C)C)C(C(=O)O)OOC(C)(C)C

InChI

InChI=1S/C13H26O4/c1-9(8-12(2,3)4)10(11(14)15)16-17-13(5,6)7/h9-10H,8H2,1-7H3,(H,14,15)