2-[2,5-bis(2-methylbutan-2-yl)phenyl]-3,5-ditert-butyl-benzenecarboperoxoic acid

Systemtic Name: 2-[2,5-bis(2-methylbutan-2-yl)phenyl]-3,5-ditert-butyl-benzenecarboperoxoic acid Openeye Name: 2-[2,5-bis(1,1-dimethylpropyl)phenyl]-3,5-ditert-butyl-benzenecarboperoxoic acid CAS Name: 2-[2,5-bis(2-methylbutan-2-yl)phenyl]-3,5-ditert-butylbenzenecarboperoxoic acid IUPAC Name: 2-[2,5-bis(2-methylbutan-2-yl)phenyl]-3,5-ditert-butylbenzenecarboperoxoic acid Traditional Name: 3,5-ditert-butyl-2-(2,5-ditert-amylphenyl)perbenzoic acid Formula: C31H46O3 MolecularWeight: 466.69514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)C(C)(C)CC)C2=C(C=C(C=C2C(=O)OO)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)C(C)(C)CC)C2=C(C=C(C=C2C(=O)OO)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C31H46O3/c1-13-30(9,10)20-15-16-24(31(11,12)14-2)22(17-20)26-23(27(32)34-33)18-21(28(3,4)5)19-25(26)29(6,7)8/h15-19,33H,13-14H2,1-12H3