methyl 5-[2-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]phenyl]pentaneperoxoate

Systemtic Name: methyl 5-[2-[(1E,3E)-5-oxidanyltrideca-1,3-dienyl]phenyl]pentaneperoxoate Openeye Name: methyl 5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]pentaneperoxoate CAS Name: 5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]pentaneperoxoic acid methyl ester IUPAC Name: methyl 5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]pentaneperoxoate Traditional Name: 5-[2-[(1E,3E)-5-hydroxytrideca-1,3-dienyl]phenyl]peroxyvaleric acid methyl ester Formula: C25H38O4 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C=CC=CC1=CC=CC=C1CCCCC(=O)OOC)O

Isomeric SMILES

CCCCCCCCC(/C=C/C=C/C1=CC=CC=C1CCCCC(=O)OOC)O

InChI

InChI=1S/C25H38O4/c1-3-4-5-6-7-8-19-24(26)20-13-11-17-22-15-9-10-16-23(22)18-12-14-21-25(27)29-28-2/h9-11,13,15-17,20,24,26H,3-8,12,14,18-19,21H2,1-2H3/b17-11+,20-13+