3-octan-2-yl-4-phenyl-benzenecarboperoxoic acid

Systemtic Name: 3-octan-2-yl-4-phenyl-benzenecarboperoxoic acid Openeye Name: 3-(1-methylheptyl)-4-phenyl-benzenecarboperoxoic acid CAS Name: 3-octan-2-yl-4-phenylbenzenecarboperoxoic acid IUPAC Name: 3-octan-2-yl-4-phenylbenzenecarboperoxoic acid Traditional Name: 3-(1-methylheptyl)-4-phenyl-perbenzoic acid Formula: C21H26O3 MolecularWeight: 326.42934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C=CC(=C1)C(=O)OO)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC(C)C1=C(C=CC(=C1)C(=O)OO)C2=CC=CC=C2

InChI

InChI=1S/C21H26O3/c1-3-4-5-7-10-16(2)20-15-18(21(22)24-23)13-14-19(20)17-11-8-6-9-12-17/h6,8-9,11-16,23H,3-5,7,10H2,1-2H3