3-(2-methylbutyl)-4-phenyl-benzenecarboperoxoic acid

Systemtic Name: 3-(2-methylbutyl)-4-phenyl-benzenecarboperoxoic acid Openeye Name: 3-(2-methylbutyl)-4-phenyl-benzenecarboperoxoic acid CAS Name: 3-(2-methylbutyl)-4-phenylbenzenecarboperoxoic acid IUPAC Name: 3-(2-methylbutyl)-4-phenylbenzenecarboperoxoic acid Traditional Name: 3-(2-methylbutyl)-4-phenyl-perbenzoic acid Formula: C18H20O3 MolecularWeight: 284.3496

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(C=CC(=C1)C(=O)OO)C2=CC=CC=C2

Isomeric SMILES

CCC(C)CC1=C(C=CC(=C1)C(=O)OO)C2=CC=CC=C2

InChI

InChI=1S/C18H20O3/c1-3-13(2)11-16-12-15(18(19)21-20)9-10-17(16)14-7-5-4-6-8-14/h4-10,12-13,20H,3,11H2,1-2H3