2-methyl-3-phenyl-icosaneperoxoic acid

Systemtic Name: 2-methyl-3-phenyl-icosaneperoxoic acid Openeye Name: 2-methyl-3-phenyl-icosaneperoxoic acid CAS Name: 2-methyl-3-phenyleicosaneperoxoic acid IUPAC Name: 2-methyl-3-phenylicosaneperoxoic acid Traditional Name: 2-methyl-3-phenyl-peroxyarachidic acid Formula: C27H46O3 MolecularWeight: 418.65234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)C(C)C(=O)OO

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C1=CC=CC=C1)C(C)C(=O)OO

InChI

InChI=1S/C27H46O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(24(2)27(28)30-29)25-21-18-17-19-22-25/h17-19,21-22,24,26,29H,3-16,20,23H2,1-2H3